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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H46O5
Molecular Weight 474.6725
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 16-O-Deacetylfusidic acid

SMILES

[H][C@@]12C[C@@H](O)[C@@]3([H])[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@]4([H])CC[C@]3(C)[C@@]1(C)C[C@H](O)\C2=C(\CCC=C(C)C)C(O)=O

InChI

InChIKey=ZYPQPWJLUKNCQX-OHXMNYGTSA-N
InChI=1S/C29H46O5/c1-16(2)8-7-9-18(26(33)34)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)32/h8,17,19-23,25,30-32H,7,9-15H2,1-6H3,(H,33,34)/b24-18-/t17-,19-,20-,21+,22+,23-,25-,27-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H46O5
Molecular Weight 474.6725
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:50:42 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:42 GMT 2023
Record UNII
AKH44643KG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
16-O-Deacetylfusidic acid
Common Name English
(2Z)-6-Methyl-2-[(3R,4S,8S,9R,10S,11R,13R,14R,16S)-3,11,16-trihydroxy-4,10,14-trimethyl-1,2,3,4,5,6,7,8,9,11,12,13,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hept-5-enoicacid
Systematic Name English
(3α,4α,8α,9β,11α,13α,14β,16β,17Z)-3,11,16-Trihydroxy-29-nordammara-17(20),24-dien-21-oic acid
Systematic Name English
29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,11α,16β-trihydroxy-, (Z)-
Systematic Name English
29-Nordammara-17(20),24-dien-21-oic acid, 3,11,16-trihydroxy-, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
Systematic Name English
ent-(17Z)-3β,11β,16α-trihydroxy-4β,8,14-trimethyl-18-nor-5β,10α-cholesta-17(20),24-dien-21-oic acid
Systematic Name English
16-Desacetylfusidic acid
Common Name English
Fusidic Acid Impurity O [EP Impurity]
Common Name English
Code System Code Type Description
CAS
13090-91-0
Created by admin on Sat Dec 16 19:50:42 GMT 2023 , Edited by admin on Sat Dec 16 19:50:42 GMT 2023
PRIMARY
FDA UNII
AKH44643KG
Created by admin on Sat Dec 16 19:50:42 GMT 2023 , Edited by admin on Sat Dec 16 19:50:42 GMT 2023
PRIMARY
PUBCHEM
21151327
Created by admin on Sat Dec 16 19:50:42 GMT 2023 , Edited by admin on Sat Dec 16 19:50:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY