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

CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@H](C[C@@H]14)OC(C)=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 `Wed Apr 02 09:09:36 GMT 2025` Edited by `admin` on `Wed Apr 02 09:09:36 GMT 2025`
Record UNII	2DCS7F5M1X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

124140914

Created by admin on Wed Apr 02 09:09:36 GMT 2025 , Edited by admin on Wed Apr 02 09:09:36 GMT 2025

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CAS

2055651-18-6

Created by admin on Wed Apr 02 09:09:36 GMT 2025 , Edited by admin on Wed Apr 02 09:09:36 GMT 2025

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FDA UNII

2DCS7F5M1X

Created by admin on Wed Apr 02 09:09:36 GMT 2025 , Edited by admin on Wed Apr 02 09:09:36 GMT 2025

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