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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

[H][C@@]12C[C@@]3(C)[C@@]([H])(C[C@@H](O)[C@@]4([H])[C@@]5(C)CC[C@@H](O)[C@@H](C)[C@]5([H])CC[C@]34C)C1=C(CCC=C(C)C)C(=O)O2

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 Sat Dec 16 19:35:38 GMT 2023
Edited
by admin
on Sat Dec 16 19:35:38 GMT 2023
Record UNII
BX4P92XJ2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Deacetylfusidic acid 21,16-lactone
Common Name English
29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,11α,16α-trihydroxy-, γ-lactone
Systematic Name English
Fusidic Acid Impurity K [EP IMPURITY]
Common Name English
29-Nordammara-17(20),24-dien-21-oic acid, 3,11,16-trihydroxy-, γ-lactone, (3α,4α,8α,9β,11α,13α,14β,16α)-
Systematic Name English
ent-(17Z)-3β,11β-dihydroxy-4β,8,14-trimethyl-18-nor-5β,10α-cholesta-17(20),24-dieno-21(16α)-lactone
Systematic Name English
Code System Code Type Description
PUBCHEM
122384398
Created by admin on Sat Dec 16 19:35:38 GMT 2023 , Edited by admin on Sat Dec 16 19:35:38 GMT 2023
PRIMARY
CAS
13011-12-6
Created by admin on Sat Dec 16 19:35:38 GMT 2023 , Edited by admin on Sat Dec 16 19:35:38 GMT 2023
PRIMARY
FDA UNII
BX4P92XJ2U
Created by admin on Sat Dec 16 19:35:38 GMT 2023 , Edited by admin on Sat Dec 16 19:35:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY