U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H48O5
Molecular Weight 500.7098
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 11-Deoxyfusidic acid

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O

InChI

InChIKey=XIQFIBYNKGFJIX-FNZWKSSPSA-N
InChI=1S/C31H48O5/c1-18(2)9-8-10-21(28(34)35)27-23-11-12-26-29(5)15-14-24(33)19(3)22(29)13-16-30(26,6)31(23,7)17-25(27)36-20(4)32/h9,19,22-26,33H,8,10-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,26-,29-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H48O5
Molecular Weight 500.7098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:24 GMT 2025
Record UNII
WMU4BUR26K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUSIDIC ACID IMPURITY M [EP IMPURITY]
Preferred Name English
11-Deoxyfusidic acid
Common Name English
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-, (3?,4?,8?,9?,13?,14?,16?,17Z)-
Systematic Name English
ent-(17Z)-16?-(acetyloxy)-3?-hydroxy-4?,8,14-trimethyl-18-nor-5?,10?-cholesta-17(20),24-dien-21-oic acid
Systematic Name English
(3?,4?,8?,9?,13?,14?,16?,17Z)-16-(Acetyloxy)-3-hydroxy-29-nordammara-17(20),24-dien-21-oic acid
Systematic Name English
Code System Code Type Description
CAS
1013937-16-0
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID10747494
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
FDA UNII
WMU4BUR26K
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
PUBCHEM
122384395
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY