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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H44O4
Molecular Weight 456.6573
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Deacetylfusidic acid 21,16-lactone

SMILES

C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)[C@H]2[C@H](O)C[C@H]4C5=C(CCC=C(C)C)C(=O)O[C@@H]5C[C@]34C

InChI

InChIKey=WESBIDUQKXCXGS-ZOZKCYBESA-N
InChI=1S/C29H44O4/c1-16(2)8-7-9-18-24-20-14-22(31)25-27(4)12-11-21(30)17(3)19(27)10-13-28(25,5)29(20,6)15-23(24)33-26(18)32/h8,17,19-23,25,30-31H,7,9-15H2,1-6H3/t17-,19-,20-,21+,22+,23+,25-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H44O4
Molecular Weight 456.6573
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
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
BX4P92XJ2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Deacetylfusidic acid 21,16-lactone
Common Name English
Fusidic Acid Impurity K [EP IMPURITY]
Preferred Name English
29-Nor-8?,9?,13?,14?-dammara-17(20),24-dien-21-oic acid, 3?,11?,16?-trihydroxy-, ?-lactone
Systematic Name English
29-Nordammara-17(20),24-dien-21-oic acid, 3,11,16-trihydroxy-, ?-lactone, (3?,4?,8?,9?,11?,13?,14?,16?)-
Systematic Name English
ent-(17Z)-3?,11?-dihydroxy-4?,8,14-trimethyl-18-nor-5?,10?-cholesta-17(20),24-dieno-21(16?)-lactone
Systematic Name English
Code System Code Type Description
PUBCHEM
122384398
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
13011-12-6
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
BX4P92XJ2U
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