CHOLIC ACID, 24-C-13

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O5
Molecular Weight	409.5641
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
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])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CC[13C](O)=O

InChI

InChIKey=BHQCQFFYRZLCQQ-HFINQHRVSA-N

InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i21+1

HIDE SMILES / InChI

Molecular Formula	C24H40O5
Molecular Weight	409.5641
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:25:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:25:37 GMT 2023`
Record UNII	5Z5T260AYI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLIC ACID, 24-C-13

Common Name

English

CHOLIC-24-13C ACID

Common Name

English

CHOLAN-24-OIC-24-13C ACID, 3,7,12-TRIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

(3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXYCHOLAN-24-OIC-24-13C ACID

Systematic Name

English

Code System Code Type Description

CAS

52886-36-9

Created by admin on Sat Dec 16 15:25:37 GMT 2023 , Edited by admin on Sat Dec 16 15:25:37 GMT 2023

PRIMARY

FDA UNII

5Z5T260AYI

Created by admin on Sat Dec 16 15:25:37 GMT 2023 , Edited by admin on Sat Dec 16 15:25:37 GMT 2023

PRIMARY

PUBCHEM

66995592

Created by admin on Sat Dec 16 15:25:37 GMT 2023 , Edited by admin on Sat Dec 16 15:25:37 GMT 2023

PRIMARY

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					5Z5T260AYI

CHOLIC ACID, 24-C-13

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