3-DEHYDROCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38O5
Molecular Weight	406.5555
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OEKUSRBIIZNLHZ-DJDNIQJZSA-N

InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H38O5
Molecular Weight	406.5555
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 `Sat Dec 16 16:46:13 GMT 2023` Edited by `admin` on `Sat Dec 16 16:46:13 GMT 2023`
Record UNII	NFU5ZM6X6V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-DEHYDROCHOLIC ACID

Common Name

English

7.ALPHA.,12.ALPHA.-DIHYDROXY-3-OXO-5.BETA.-CHOLAN-24-OIC ACID

Systematic Name

English

3-OXO-7A,12A-DIHYDROXY-5B-CHOLANIC ACID

Systematic Name

English

7.ALPHA.,12.ALPHA.-DIHYDROXY-3-OXO-5.BETA.-CHOLANOIC ACID

Systematic Name

English

3-KETOCHOLIC ACID

Common Name

English

3-KETO-7.ALPHA.,12.ALPHA.-DIHYDROXY-5.BETA.-CHOLANIC ACID

Systematic Name

English

CHOLAN-24-OIC ACID, 7,12-DIHYDROXY-3-OXO-, (5.BETA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

NFU5ZM6X6V