CHOLA-4,6-DIEN-24-OIC ACID, 3-OXO-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O3
Molecular Weight	370.525
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHOLA-4,6-DIEN-24-OIC ACID, 3-OXO-

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=CREVIXFSUWYGRJ-IHMUCKAYSA-N

InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O3
Molecular Weight	370.525
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:18:55 GMT 2023` Edited by `admin` on `Sat Dec 16 15:18:55 GMT 2023`
Record UNII	C7WV6M12MR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLA-4,6-DIEN-24-OIC ACID, 3-OXO-

Common Name

English

3-OXOCHOLA-4,6-DIEN-24-OIC ACID

Common Name

English

3-OXO-4,6-CHOLADIEN-24-OIC ACID

Common Name

English

(4S)-4-((8R,9R,10S,13S,14S,17R)-10,13-DIMETHYL-3-OXIDANYLIDENE-1,2,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)PENTANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

C7WV6M12MR