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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O2
Molecular Weight 368.5521
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentarane A

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(CCCC2)C(C)=O

InChI

InChIKey=QRVBGQLTPQQFJY-IEHCJHDVSA-N
InChI=1S/C25H36O2/c1-16(26)25-11-5-4-6-18(25)15-22-20-8-7-17-14-19(27)9-12-23(17,2)21(20)10-13-24(22,25)3/h14,18,20-22H,4-13,15H2,1-3H3/t18-,20-,21+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H36O2
Molecular Weight 368.5521
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:36:13 GMT 2023
Edited
by admin
on Sat Dec 16 17:36:13 GMT 2023
Record UNII
UMG87A58PN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pentarane A
Common Name English
16α,17α-Cyclohexanopregn-4-ene-3,20-dione
Systematic Name English
16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-, (16β,17α)-
Systematic Name English
Code System Code Type Description
FDA UNII
UMG87A58PN
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
WIKIPEDIA
Pentarane A
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
CAS
38522-51-9
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID20959389
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
PUBCHEM
189105
Created by admin on Sat Dec 16 17:36:13 GMT 2023 , Edited by admin on Sat Dec 16 17:36:13 GMT 2023
PRIMARY
Related Record Type Details
ANALOGUE->TARGET