D3750
去氢胆酸
别名:
(5β)-3,7,12-三氧胆固醇-24-酸, 3,7,12-三氧-5β-胆烷酸, 5β-胆酸-3,5,12-三酮
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关于此项目
经验公式（希尔记法）:
C24H34O5
化学文摘社编号:
分子量:
402.52
EC Number:
201-335-7
UNSPSC Code:
12161900
MDL number:
Beilstein/REAXYS Number:
3226734
InChI
1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1
InChI key
OHXPGWPVLFPUSM-KLRNGDHRSA-N
SMILES string
[H][C@@]12CC(=O)CC[C@]1(C)[C@@]3([H])CC(=O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])C(=O)C2)[C@H](C)CCC(O)=O
description
anionic
mp
238-240 °C
solubility
ethanol: 10 mg/mL
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Biochem/physiol Actions
胆汁酸
存储类别
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
Ruchika Sharma et al.
Bioorganic & medicinal chemistry, 18(18), 6886-6895 (2010-08-18)
The molecular mechanisms and interactions underlying bile acid cytotoxicity are important to understand for intestinal and hepatic disease treatment and prevention and the design of bile acid-based therapeutics. Bile acid lipophilicity is believed to be an important cytotoxicity determinant but
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this
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