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醉茄素A | 5119-48-2

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中文名称：醉茄素A

英文名称： Withaferin A

CAS No.： 5119-48-2

分子式： C₂₈H₃₈O₆

分子量： 470.5977

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：醉茄素A结构式

MSDS：醉茄素AMSDS

PubChem CID： 329830709

价格行情：醉茄素A价格

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醉茄素A的其他展现形式

相关化合物

醉茄内酯

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-

CAS No.：30655-48-2
睡茄素A

Withanolide A

CAS No.：32911-62-9
Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,17,22-trihydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)-

CAS No.：27570-38-3
Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-22,27-dihydroxy-1-oxo-, d-lactone, (5b,6b,22R)- (9CI)

CAS No.：5788-94-3
Ergosta-2,24-dien-26-oicacid, 18-(acetyloxy)-5,6-epoxy-4,22-dihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-

CAS No.：21902-99-8
Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-

CAS No.：22848-79-9

简介

Withaferin A 是从睡茄中分离到的甾体内酯，可以抑制 NF-kB 的活性，靶作用于波形蛋白 (vimentin)，具有抗炎，抗肿瘤等功效。Withaferin A 是内皮蛋白 C 受体 (EPCR) 脱落的抑制剂。

名称和标识符

MDL	MFCD10687098
InChIKey	DBRXOUCRJQVYJQ-CKNDUULBSA-N
Inchi	1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
SMILES	O1[C@]2([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])[C@@]5([H])C([H])([H])C(C([H])([H])[H])=C(C([H])([H])O[H])C(=O)O5)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@]3(C(C([H])=C([H])[C@@]([H])([C@]132)O[H])=O)C([H])([H])[H]
BRN	1335150

别名信息

- 中文别名 -

南非醉茄提取物
霜抑素A
醉茄素A
醉茄素A(P)
醉茄素A

醉茄素 A

- 英文别名 -

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
Withaferin A
Deuterated Withaferin A
Withaferin A Standard
WITHAFERIN A, PRIMARY STANDARD

5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide,Withaferine A
5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide
Withaferine A
Withaferine
NSC 101088
NSC 273757
WITHAFERIN DERIV JPR, IOWA U. COMPOUND
L6DO3QW4K5
Ashwagandha
NSC101088
Ashwagandha Root Extract
4β,5β,6β,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid δ-lactone
5,6-Epoxy-4,27-dihydroxy-1-oxowitha-2,24-dienolide
(4&#946
,5&#946
,6&#946
)-form
SMR000440592
MLSMR
4beta,27-dihydroxy-1-oxo-5beta,6beta-epoxywitha-2,24-dienolide
MLS000876826
withaferin A
UNII-L6DO3QW4K5
AKOS040758787
NSC273757
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Q6606395
NCGC00180796-02_C28H38O6_(4beta,5beta,6beta,22R)-4,27-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
NSC-101088
(4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one
Withaferin A, >=95% (HPLC)
MFCD10687098
s8587
5.beta.-Ergosta-2, 5,6.beta.-epoxy-4.beta.,22,27-trihydroxy-1-oxo-, .delta.-lactone, (20S,22R)-
HY-N2065
BRN 1335150
(4beta,5beta,6beta,22R)-5,6-Epoxy-4,22,27-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
(4.BETA.,5.BETA.,6.BETA.,22R)-4,27-DIHYDROXY-5,6:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
(4beta,5beta,6beta,22R)-4,27-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
WLN: T3 F5 E666 1A R AXO OV PU CH&TTTTJ J1 N1 RQ IY1&- FT6OV CUTJ C1Q D1
Ergosta-2, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, .delta.-lactone, (4.beta.,5.beta.,6.beta.,22R)-
Withaferin A, analytical standard
5119-48-2
AS-77575
SCHEMBL157208
5-beta-Ergosta-2,24-dien-26-oic acid, 5,6-beta-epoxy-4-beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
BRD-K88378636-001-01-0
Withaferin A 100 microg/mL in Acetonitrile
WITHAFERIN A [MI]
MLS006010687
C08841
A1-06845
Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22,27-trihydroxy-1-oxo-, gamma-lactone, (4bta,5beta,6beta,22R)-
NSC-273757
CHEBI:69120
SMR004701668
CHEMBL517080
NCGC00180796-02
NCI60_000031
A871350
5beta-Ergosta-2,24-dien-26-oic acid, 5,6beta-epoxy-4beta,22,27-trihydroxy-1-oxo-, delta-lactone, (20S,22R)-
(6S,7R,9R)-6-Hydroxy-15-[(2R,3R)-3-hydroxy-4-(4-methyl-5-oxo-2H-furan-3-yl)butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
CS-0018562
5-19-06-00604 (Beilstein Handbook Reference)
BDBM50599323

物化性质

实验特性

LogP	3.35290
PSA	96.36000
折射率	1.599
沸点	680.7±55.0 °C at 760 mmHg
熔点	252-253 °C
蒸气压	0.0±4.8 mmHg at 25°C
闪点	华氏：438.8 °F 摄氏：226 °C
颜色与性状	Powder
比旋光度	D28 +125° (c = 1.30 in CHCl3)
密度	1.28

计算特性

精确分子量	470.26700
氢键供体数量	2
氢键受体数量	6
可旋转化学键数量	3
同位素质量	470.26683893 g/mol
重原子数量	34
复杂度	999
同位素原子数量	0
确定原子立构中心数量	11
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）	3.8
拓扑分子极性表面积	96.4
分子量	470.6

安全信息

RTECS号	KE7288500
WGK Germany	3
安全说明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
危险品标志	T
危险品运输编号	NONH for all modes of transport
危害声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明	P264处理后彻底清洗+P280戴防护手套/穿防护服/戴防护眼罩/戴防护面具+P305如果进入眼睛+P351用水小心冲洗几分钟+P338取出隐形眼镜（如果有）并且易于操作,继续冲洗+P337如果眼睛刺激持续+P313获得医疗建议/护理
储存条件	4°C, protect from light
信号词	warning

国际标准相关数据

EINECS	273757

醉茄素A | 5119-48-2

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