InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,20+,21+,23+,24-/m1/s1

【InChIKey】

InChIKey=XWJTYEGVQBFZHI-IMPNNSMHSA-N

【SMILES】

C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O

【MOL File】

APOCHOLIC ACID.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:4

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

APOCHOLIC ACID.cml

Quick Release

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641-81-6 APOCHOLIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】