CHOLIC ACID-2,2,4,4-D4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O5
Molecular Weight	412.596
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([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=BHQCQFFYRZLCQQ-YFEOEUIKSA-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/i8D2,10D2

HIDE SMILES / InChI

Molecular Formula	C24H40O5
Molecular Weight	412.596
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 15:34:32 GMT 2023` Edited by `admin` on `Sat Dec 16 15:34:32 GMT 2023`
Record UNII	88X15G5Z03
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CHOLIC ACID-2,2,4,4-D4

Common Name

English

CHOLAN-24-OIC-2,2,4,4-D4 ACID, 3,7,12-TRIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-

Systematic Name

English

CHOLIC ACID 2,2,4,4-D4

Common Name

English

Code System Code Type Description

PUBCHEM

16217616

Created by admin on Sat Dec 16 15:34:32 GMT 2023 , Edited by admin on Sat Dec 16 15:34:32 GMT 2023

PRIMARY

CAS

116380-66-6

Created by admin on Sat Dec 16 15:34:32 GMT 2023 , Edited by admin on Sat Dec 16 15:34:32 GMT 2023

PRIMARY

FDA UNII

88X15G5Z03

Created by admin on Sat Dec 16 15:34:32 GMT 2023 , Edited by admin on Sat Dec 16 15:34:32 GMT 2023

PRIMARY

Related Record Type Details


					G1JO7801AE

CHOLIC ACID

NON-LABELED -> LABELED