3-OXOCHENODEOXYCHOLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H38O4
Molecular Weight	390.5561
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
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])CC[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=KNVADAPHVNKTEP-CIGXQKLNSA-N

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

HIDE SMILES / InChI

Molecular Formula	C24H38O4
Molecular Weight	390.5561
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:18 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:18 GMT 2023`
Record UNII	3MY7NM9XNW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-OXOCHENODEOXYCHOLIC ACID

Common Name

English

3-OXO-7.ALPHA.-HYDROXYCHOLAN-24-OIC ACID

Systematic Name

English

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

Systematic Name

English

(5.BETA.,7.ALPHA.)-7-HYDROXY-3-OXOCHOLAN-24-OIC ACID

Systematic Name

English

7.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLAN-24-OIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

5283932