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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H46O5
Molecular Weight 498.6939
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 9,11-Anhydrofusidic acid

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2=CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O

InChI

InChIKey=XLGDRQJDRPAHDF-KRMCRKKPSA-N
InChI=1S/C31H46O5/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/h9,12,19,22-25,33H,8,10-11,13-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,29-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H46O5
Molecular Weight 498.6939
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:03:54 GMT 2025
Edited
by admin
on Wed Apr 02 17:03:54 GMT 2025
Record UNII
RZD6436JQV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUSIDIC ACID IMPURITY L [EP IMPURITY]
Preferred Name English
9,11-Anhydrofusidic acid
Common Name English
29-Nordammara-9(11),17(20),24-trien-21-oic acid, 16-(acetyloxy)-3-hydroxy-, (3?,4?,8?,13?,14?,16?,17Z)-
Systematic Name English
ent-(17Z)-16?-(acetyloxy)-3?-hydroxy-4?,8,14-trimethyl-18-nor-5?,10?-cholesta-9(11),17(20),24-trien-21-oic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50747039
Created by admin on Wed Apr 02 17:03:54 GMT 2025 , Edited by admin on Wed Apr 02 17:03:54 GMT 2025
PRIMARY
CAS
74048-41-2
Created by admin on Wed Apr 02 17:03:54 GMT 2025 , Edited by admin on Wed Apr 02 17:03:54 GMT 2025
PRIMARY
FDA UNII
RZD6436JQV
Created by admin on Wed Apr 02 17:03:54 GMT 2025 , Edited by admin on Wed Apr 02 17:03:54 GMT 2025
PRIMARY
PUBCHEM
127256182
Created by admin on Wed Apr 02 17:03:54 GMT 2025 , Edited by admin on Wed Apr 02 17:03:54 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY