METHYL DEOXYCHOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H42O4
Molecular Weight	406.5986
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChIKey=ZHUOOEGSSFNTNP-JMKDMENQSA-N

InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H42O4
Molecular Weight	406.5986
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:45:16 GMT 2025` Edited by `admin` on `Mon Mar 31 17:45:16 GMT 2025`
Record UNII	H1C2TVP7AQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL DEOXYCHOLATE

Common Name

English

NSC-22957

Preferred Name

English

METHYL 7-DEOXYCHOLATE

Common Name

English

CHOLAN-24-OIC ACID, 3,12-DIHYDROXY-, METHYL ESTER, (3.ALPHA.,5.BETA.,12.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

229346