简介名称和标识符别名信息物化性质安全信息相关文献专业数据库参考参考资料相关分类

断氧化马钱苷 | 58822-47-2

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中文名称：断氧化马钱苷

英文名称： Secoxyloganin

CAS No.： 58822-47-2

分子式： C₁₇H₂₄O₁₁

分子量： 404.3659

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：断氧化马钱苷结构式

MSDS：断氧化马钱苷MSDS

PubChem CID： 162868

价格行情：断氧化马钱苷价格

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断氧化马钱苷的其他展现形式

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简介

Secoxyloganin 是来自 Lonicera japonica Thunb，抑制血流量 (BF) 减少。 Secoxyloganin 具有防过敏作用。

名称和标识符

MDL	MFCD20260822
InChIKey	MQLSOVRLZHTATK-PEYNGXJCSA-N
Inchi	1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
SMILES	O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]([H])([C@]1([H])O[C@@]1([H])[C@]([H])(C([H])=C([H])[H])[C@]([H])(C([H])([H])C(=O)O[H])C(C(=O)OC([H])([H])[H])=C([H])O1)O[H])O[H])O[H]

别名信息

- 中文别名 -

断氧化马钱子苷
幼枝含断氧化马钱子苷
幼枝含断氧化马钱子甙
断氧化马钱子甙

- 英文别名 -

2H-Pyran-4-acetic acid,3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,(2S,3R,4S)-
Secoxyloganin
[(2S,3R,4S)-2-(β-D-Glucopyranosyloxy)-5-(methoxycarbonyl)-3-vinyl -3,4-dihydro-2H-pyran-4-yl]acetic acid
2H-Pyran-4-acetic acid,3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-,(2...
Secoquettamine

[ "" ]
[(2s,3r,4s)-3-ethenyl-2-(
A-d-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2h-pyran-4-yl]acetic acid
MEGxp0_000724
2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid
UNII-65J8K23L9L
NCGC00380454-01_C17H24O11_2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3R,4S)-
(2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
DTXSID90974342
SECOLOGANOSIDE 11-METHYL ESTER
2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S-(2alpha,3beta,4beta))-
CCG-268689
AS-78339
CHEBI:132712
AC-34945
2-((2S,3R,4S)-5-(Methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-4-yl)acetic acid
AKOS032948707
(2S-(2alpha,3beta,4beta))-3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
[(2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid
Secoxy-loganin
2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, (2S,3R,4S)-
2H-PYRAN-4-ACETIC ACID, 3-ETHENYL-2-(beta-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-, (2S,3R,4S)-
65J8K23L9L
HY-N3009
NCGC00380454-01
CS-0022922
s9435
(2S,3R,4S)-3-ETHENYL-2-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2H-PYRAN-4-ACETIC ACID
[3-Ethenyl-2-(hexopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetic acid
58822-47-2
Secologanoside 11-methyl ester

物化性质

实验特性

LogP	-1.89080
PSA	172.21000
折射率	1.588
沸点	649.5±55.0 °C at 760 mmHg
蒸气压	0.0±4.4 mmHg at 25°C
闪点	231.8±25.0 °C
颜色与性状	Powder
密度	1.5±0.1 g/cm3

计算特性

精确分子量	404.13200
氢键供体数量	5
氢键受体数量	11
可旋转化学键数量	8
同位素质量	404.13186158 g/mol
重原子数量	28
复杂度	618
同位素原子数量	0
确定原子立构中心数量	8
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）	-1.6
拓扑分子极性表面积	172
分子量	404.4

安全信息

安全说明	H303+H313+H333
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+P280+P305+P351+P338+P337+P313
储存条件	4℃条件下存储，-4℃条件下存储更佳

相关文献

1. A network analysis of the Chinese medicine Lianhua-Qingwen formula to identify its main effective components
Chun-Hua Wang,Yi Zhong,Yan Zhang,Jin-Ping Liu,Yue-Fei Wang,Wei-Na Jia,Guo-Cai Wang,Zheng Li,Yan Zhu,Xiu-Mei Gao Mol. BioSyst. 2016 12 606
2. Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoid glycosides and caffeoylquinic acids in Re Du Ning Injections
Yan-Jing Li,Zhen-Zhong Wang,Yu-An Bi,Gang Ding,Long-Sheng Sheng,Brian Musselman,Chen-Feng Zhang,Jun Chen,Wei Xiao Anal. Methods 2013 5 7081
3. Quality control throughout the production process of Chinese herbal preparations using HPLC-DAD multiple chromatographic fingerprinting combined with HPLC/Q-TOF MS: a case study on Re Du Ning injections
Yan-Jing Li,Shu-Yao Wang,Sen Bi,Li-Qiong Sun,Chun-Xiao Zhang,Shan Zhang,Wen-Zhe Huang,Zhen-Zhong Wang,Yue-Sheng Wang,Yu-An Bi,Wei Xiao Anal. Methods 2015 7 9458
4. Antidiabetic effects of extracts of red and yellow fruits of cornelian cherries (Cornus mas L.) on rats with streptozotocin-induced diabetes mellitus
Olha Dzydzan,Ivanna Bila,Alicja Z. Kucharska,Iryna Brodyak,Natalia Sybirna Food Funct. 2019 10 6459
5. Stereoselective synthesis of yohimbine alkaloids from secologanin
Richard T. Brown,Simon B. Pratt J. Chem. Soc. Chem. Commun. 1980 165
6. Stereoselective synthesis of yohimbine alkaloids from secologanin
Richard T. Brown,Simon B. Pratt J. Chem. Soc. Chem. Commun. 1980 165
7. Skin-permeating components of Lonicera japonica flos: a comprehensive study from observations and model computations
Keda Zhang,Wanyang Sun,Alfred Fahr,Xiaobin Zeng,Lanlan Ge,Ming Chen,Lingzhi Yang,Shipin Wu,Jia Fei,Boping Zhou New J. Chem. 2019 43 12538
8. Study on the chemical markers of Caulis Lonicerae japonicae for quality control by HPLC-QTOF/MS/MS and chromatographic fingerprints combined with chemometrics methods
Yi-Da Zhang,Xi Huang,Fang-Li Zhao,Yuan-Lin Tang,Lian Yin Anal. Methods 2015 7 2064
9. Conversion of secologanin into elenolic acid and 18-oxayohimban alkaloids
Richard T. Brown,C. Lyn Chapple,D. Malcolm Duckworth,Ray Platt J. Chem. Soc. Perkin Trans. 1 1976 160
10. The biosynthesis of C5–C25 terpenoid compounds
Paul M. Dewick Nat. Prod. Rep. 1997 14 111

专业数据库参考

PubChemId	162868

参考资料

Reaxys RN

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