InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1

【InChIKey】

InChIKey=HIAJCGFYHIANNA-QIZZZRFXSA-N

【SMILES】

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

【MOL File】

3BETA-HYDROXY-DELTA5….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:3

XLogP3:6.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

TCI (Shanghai) Development Co., Ltd. :3BETA-HYDROXY-DELTA5-CHOLENIC ACID

【WGK Germany】

4CML File

3BETA-HYDROXY-DELTA5-CHOLENIC ACID.cml

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5255-17-4 3BETA-HYDROXY-DELTA5-CHOLENIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】