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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

[H][C@@]12CC(=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](OC(C)=O)\C2=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 Sat Dec 16 19:50:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:50:07 GMT 2023
Record UNII
BH8KHH6DLM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-Ketofusidic acid
Common Name English
ent-(17Z)-16α-(acetyloxy)-3β-hydroxy-4β,8,14-trimethyl-11-oxo-18-nor-5β,10α-cholesta-17(20),24-dien-21-oic acid
Systematic Name English
11-didehydrofusidic acid
Common Name English
(3α,4α,8α,9β,13α,14β,16β,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-, (3α,4α,8α,9β,13α,14β,16β,17Z)-
Systematic Name English
11-Oxofusidic acid
Common Name English
Code System Code Type Description
PUBCHEM
21155604
Created by admin on Sat Dec 16 19:50:08 GMT 2023 , Edited by admin on Sat Dec 16 19:50:08 GMT 2023
PRIMARY
CAS
16711-91-4
Created by admin on Sat Dec 16 19:50:08 GMT 2023 , Edited by admin on Sat Dec 16 19:50:08 GMT 2023
PRIMARY
FDA UNII
BH8KHH6DLM
Created by admin on Sat Dec 16 19:50:08 GMT 2023 , Edited by admin on Sat Dec 16 19:50:08 GMT 2023
PRIMARY
Related Record Type Details
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