简介名称和标识符别名信息物化性质安全信息国际标准相关数据相关文献专业数据库参考相关分类相关产品

澳洲茄碱 | 19121-58-5

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中文名称：澳洲茄碱

英文名称： Solasonine

CAS No.： 19121-58-5

分子式： C₄₅H₇₃NO₁₆

分子量： 884.0582

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：澳洲茄碱结构式

MSDS：澳洲茄碱MSDS

PubChem CID： 119247

价格行情：澳洲茄碱价格

快速询单国内供应商

澳洲茄碱的其他展现形式

相关化合物

澳茄新碱

Solasurine

CAS No.：27028-76-8
delta-Solamarine

CAS No.：15299-07-7
Solaplumbine

CAS No.：54302-48-6
(22S,25S)-3beta-[O2-(alpha-L-6-deoxy-mannopyranosyl)-beta-D-glucopyranosyloxy]-spirosol-5-ene

CAS No.：15299-06-6
(22R,25R)-16beta-H-22alpha-N-spirosol-3beta-ol-5-ene 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside

CAS No.：1306729-47-4
(25R,20R,16S)-3beta-{O-alpha-L-rhamnopyranosyl-(1->2)-O-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranosyl}-22alphaN-spirosol-5-en

CAS No.：1352486-73-7

简介

Solasonine 是从龙葵中分离出一种甾体糖苷生物碱，对人胃癌细胞有细胞毒性。

名称和标识符

InChIKey	QCTMYNGDIBTNSK-IBGWKBMZSA-N
Inchi	1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19?,20?,21?,23?,24-,25-,26+,27+,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43+,44+,45-/m1/s1
SMILES	O1[C@]2(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])N2[H])C([H])(C([H])([H])[H])[C@]2([H])[C@]1([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H]

别名信息

- 中文别名 -

澳洲茄碱
α-澳洲茄碱
澳洲茄碱（α-澳洲茄碱）
澳洲茄碱（标准品）
澳洲茄碱,Solasonine,植物提取物,标准品,对照品

澳洲茄碱对照品
茄解碱
α-澳洲茄碱,茄解碱
澳州茄碱
澳州茄碱对照品
澳洲茄碱(α-澳洲茄碱, 茄解碱)
羥基茄鹼
澳洲茄鹼
奥洲茄碱
SOLASONINE；澳洲茄碱
Α-澳洲茄碱；茄解碱
澳洲茄碱(对照品)

- 英文别名 -

alpha-Solamargine
Solasonine
SOLASONINE(RG)
PURAPURIN
PURAPURINE

SOLANCARPIN
SOLANINE S
SOLASODAMINE
SOLASONIN
Solasoonine
α-Solasonine
alpha-Solasonine
beta-D-Galactopyranoside (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-[beta-D-glucopyranosyl-(1-3)]
NSC 82149
2-[5-Hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,6R,8S,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentac
19121-58-5
19121-58-5
Solasonin
Solasonin
Spirosol-5-en-3-yl 2-O-(6-deoxyhexopyranosyl)-3-O-hexopyranosylhexopyranoside #
Spirosol-5-en-3-yl 2-O-(6-deoxyhexopyranosyl)-3-O-hexopyranosylhexopyranoside #
.beta.-D-Galactopyranoside, (3.beta.,22.alpha.,25R)-spirosol-5-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(12)-O-[.beta.-D-glucopyranosyl-(13)]-
.beta.-D-Galactopyranoside, (3.beta.,22.alpha.,25R)-spirosol-5-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(12)-O-[.beta.-D-glucopyranosyl-(13)]-
QCTMYNGDIBTNSK-UHFFFAOYSA-N
QCTMYNGDIBTNSK-UHFFFAOYSA-N
2-[5-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
2-[5-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl)oxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
.alpha.-Solasonine
.alpha.-Solasonine
BCP18606
BCP18606
FT-0697968
FT-0697968
Solasodine base + O-Hex-Hex-dHex
Solasodine base + O-Hex-Hex-dHex
Tomatine solaradixine
Tomatine solaradixine
TR60638HXL
TR60638HXL
SOLASONINE [MI]
SOLASONINE [MI]
CCG-270555
CCG-270555
BS-16392
BS-16392
beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-
beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-
beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))- (9CI)
beta-D-Galactopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))- (9CI)
NSC-82149
NSC-82149
SCHEMBL2683980
SCHEMBL2683980
QCTMYNGDIBTNSK-XEAAVONHSA-N
QCTMYNGDIBTNSK-XEAAVONHSA-N
S9144
S9144
CHEBI:9191
CHEBI:9191
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Q7557107
Q7557107
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-YL O-6- DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1-2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1-3))-
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-YL O-6- DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1-2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1-3))-
NS00048370
NS00048370
UNII-TR60638HXL
UNII-TR60638HXL
DTXSID801028790
DTXSID801028790
AC-33986
AC-33986
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-
.BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-SPIROSOL-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->3))-
CHEMBL438956
CHEMBL438956
EINECS 242-826-6
EINECS 242-826-6
AKOS030528257
AKOS030528257
.beta.-D-Galactopyranoside, (3.beta.,22.alpha.,25R)-spirosol-5-en-3-ylO-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-O-[.beta.-D-glucopyranosyl-(1.fwdarw.3)]-
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2R,5'S)-5'-tetramethylspiro[[?]-2,2'-piperidine]yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
MFCD30179490
(2S,3R,4R,5R,6S)-2-[(2R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
HY-N0070
CS-0007113

物化性质

实验特性

LogP	0.11590
PSA	258.71000
折射率	1.627
沸点	No data available
熔点	301-303 ºC
蒸气压	No data available
闪点	No data available
颜色与性状	Powder
比旋光度	D23 -88° (c = 1.01 in pyridine); D22 -74.5° (c = 0.51 in methanol)
密度	1.42

计算特性

精确分子量	883.49300
氢键供体数量	10
氢键受体数量	17
可旋转化学键数量	8
同位素质量	883.49293524 g/mol
重原子数量	62
复杂度	1630
同位素原子数量	0
确定原子立构中心数量	26
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	1.1
拓扑分子极性表面积	259
分子量	884.1

安全信息

安全说明	H303+H313+H333
危害声明	H303+H313+H333
警示性声明	P264+P280+P305+P351+P338+P337+P313
储存条件	4°C条件下存储,-4摄氏度存储更佳
信号词	warning

国际标准相关数据

EINECS	242-826-6

澳洲茄碱 | 19121-58-5

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