METHYL .DELTA.5-3.BETA.-HYDROXYCHOLANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O3
Molecular Weight	388.5833
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL .DELTA.5-3.BETA.-HYDROXYCHOLANOATE

Structure Search

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=IMNIZYXAQQBADI-OZECAXSSSA-N

InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6,16,18-22,26H,5,7-15H2,1-4H3/t16-,18+,19+,20-,21+,22+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O3
Molecular Weight	388.5833
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:34:15 GMT 2025` Edited by `admin` on `Mon Mar 31 17:34:15 GMT 2025`
Record UNII	6ZLS7I6QFI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL .DELTA.5-3.BETA.-HYDROXYCHOLANOATE

Systematic Name

English

L-601920-0

Preferred Name

English

METHYL 3.BETA.-HYDROXYCHOL-5-ENOATE

Systematic Name

English

NSC-84140

Code

English

CHOL-5-EN-24-OIC ACID, 3-HYDROXY-, METHYL ESTER, (3.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11153463