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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H46O6
Molecular Weight 514.6933
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 11-Ketofusidic acid

SMILES

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

InChI

InChIKey=RLYFYROONDDGHK-DMLPZSAWSA-N
InChI=1S/C31H46O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-23,25,27,33H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,25-,27-,29-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H46O6
Molecular Weight 514.6933
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 17:23:30 GMT 2025
Edited
by admin
on Wed Apr 02 17:23:30 GMT 2025
Record UNII
BH8KHH6DLM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-Oxofusidic acid
Preferred Name English
11-Ketofusidic acid
Common Name English
ent-(17Z)-16?-(acetyloxy)-3?-hydroxy-4?,8,14-trimethyl-11-oxo-18-nor-5?,10?-cholesta-17(20),24-dien-21-oic acid
Systematic Name English
11-didehydrofusidic acid
Common Name English
(3?,4?,8?,9?,13?,14?,16?,17Z)-16-(Acetyloxy)-3-hydroxy-11-oxo-29-nordammara-17(20),24-dien-21-oic acid
Systematic Name English
29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3-hydroxy-11-oxo-, (3?,4?,8?,9?,13?,14?,16?,17Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
21155604
Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025
PRIMARY
CAS
16711-91-4
Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025
PRIMARY
FDA UNII
BH8KHH6DLM
Created by admin on Wed Apr 02 17:23:30 GMT 2025 , Edited by admin on Wed Apr 02 17:23:30 GMT 2025
PRIMARY
Related Record Type Details
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