3,12-Dioxocholan-24-oic acid, (5β)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H36O4
Molecular Weight	388.5402
Optical Activity	( + )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,12-Dioxocholan-24-oic acid, (5β)-

Structure Search

SMILES

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

InChI

InChIKey=XNTYYYINMGRBQW-ZEZONBOOSA-N

InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H36O4
Molecular Weight	388.5402
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 `Sat Dec 16 08:33:06 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:06 GMT 2023`
Record UNII	45UU3FP8KW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,12-Dioxocholan-24-oic acid, (5β)-

Common Name

English

3,12-Dioxo-5β-cholanic acid

Common Name

English

3,12-Dioxo-5β-cholan-24-oic acid

Common Name

English

Dehydrodeoxycholic acid

Common Name

English

(5β)-3,12-Dioxocholan-24-oic acid

Common Name

English

Cholic acid, dehydrodeoxy-

Common Name

English

(4R)-4-[(1R,3aS,3bR,5aR,9aS,9bS,11aR)-9a,11a-dimethyl-7,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Systematic Name

English

5β-Cholan-24-oic acid, 3,12-dioxo-

Common Name

English

3,12-Dioxo-5β-cholanoic acid

Common Name

English

3,12-DIOXO-5-BETA-CHOLAN-24-OIC ACID

Common Name

English

3,12-Di-keto-5β-Cholan-24-oic acid

Common Name

English

3,12-Diketo-5β-cholanic acid

Common Name

English

NSC-60789

Code

English

Code System Code Type Description

CAS

2958-05-6