3-(ACETYLOXY)-6-ETHYL-7-HYDROXY-CHOLAN-24-OIC ACID, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H46O5
Molecular Weight	462.6618
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(ACETYLOXY)-6-ETHYL-7-HYDROXY-CHOLAN-24-OIC ACID, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-

Structure Search

SMILES

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

InChI

InChIKey=GRRNTIMWVUZZKE-HXZXPRNBSA-N

InChI=1S/C28H46O5/c1-6-19-23-15-18(33-17(3)29)11-13-28(23,5)22-12-14-27(4)20(16(2)7-10-24(30)31)8-9-21(27)25(22)26(19)32/h16,18-23,25-26,32H,6-15H2,1-5H3,(H,30,31)/t16-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H46O5
Molecular Weight	462.6618
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 17:28:38 GMT 2023` Edited by `admin` on `Sat Dec 16 17:28:38 GMT 2023`
Record UNII	2DCS7F5M1X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-(ACETYLOXY)-6-ETHYL-7-HYDROXY-CHOLAN-24-OIC ACID, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-

Systematic Name

English

CHOLAN-24-OIC ACID, 3-(ACETYLOXY)-6-ETHYL-7-HYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

124140914

Created by admin on Sat Dec 16 17:28:38 GMT 2023 , Edited by admin on Sat Dec 16 17:28:38 GMT 2023

PRIMARY

CAS

2055651-18-6

Created by admin on Sat Dec 16 17:28:38 GMT 2023 , Edited by admin on Sat Dec 16 17:28:38 GMT 2023

PRIMARY

FDA UNII

2DCS7F5M1X

Created by admin on Sat Dec 16 17:28:38 GMT 2023 , Edited by admin on Sat Dec 16 17:28:38 GMT 2023

PRIMARY