INT-767 Free Acid

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H44O6S
Molecular Weight	472.678
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H]1[C@@H](O)C2[C@@H]3CC[C@H]([C@H](C)CCOS(O)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChIKey=XGIYOABXZNJOHV-IVJWKCEFSA-N

InChI=1S/C25H44O6S/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30)/t15-,16-,17-,18-,19+,20+,21+,22?,23-,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H44O6S
Molecular Weight	472.678
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:40:59 GMT 2025` Edited by `admin` on `Wed Apr 02 20:40:59 GMT 2025`
Record UNII	MY2RVH3C9D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

INT-767 Free Acid

Code

English

24-Norcholane-3,7,23-triol, 6-ethyl-, 23-(hydrogen sulfate), (3?,5?,6?,7?)-

Preferred Name

English

[(3R)-3-[(1R,3aS,3bS,4R,5R,5aS,7R,9aS,9bS,11aR)-5-Ethyl-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]butoxy]sulfonic acid

Systematic Name

English

6-Ethyl-3?,7?,23-trihydroxy-24-nor-5?-cholane 23-sulfate

Systematic Name

English

Code System Code Type Description

CAS

1000403-00-8

Created by admin on Wed Apr 02 20:40:59 GMT 2025 , Edited by admin on Wed Apr 02 20:40:59 GMT 2025

PRIMARY

PUBCHEM

171390245

Created by admin on Wed Apr 02 20:40:59 GMT 2025 , Edited by admin on Wed Apr 02 20:40:59 GMT 2025

PRIMARY

FDA UNII

MY2RVH3C9D

Created by admin on Wed Apr 02 20:40:59 GMT 2025 , Edited by admin on Wed Apr 02 20:40:59 GMT 2025

PRIMARY

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