InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

【InChIKey】

InChIKey=ZHCAAZIHTDCFJX-QLEQUTGBSA-N

【SMILES】

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCCC4)C)O)O)C

【MOL File】

5-BETA-CHOLANIC ACID….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:4

XLogP3:5.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL.cml

Quick Release

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566-17-6 5-BETA-CHOLANIC ACID-7-ALPHA, 12-ALPHA-DIOL

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】