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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

CC(=O)[C@@]12CCCC[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C

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

Approval Year

Name Type Language
16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-, (16?,17?)-
Preferred Name English
Pentarane A
Common Name English
16?,17?-Cyclohexanopregn-4-ene-3,20-dione
Systematic Name English
Code System Code Type Description
FDA UNII
UMG87A58PN
Created by admin on Wed Apr 02 09:20:08 GMT 2025 , Edited by admin on Wed Apr 02 09:20:08 GMT 2025
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WIKIPEDIA
Pentarane A
Created by admin on Wed Apr 02 09:20:08 GMT 2025 , Edited by admin on Wed Apr 02 09:20:08 GMT 2025
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CAS
38522-51-9
Created by admin on Wed Apr 02 09:20:08 GMT 2025 , Edited by admin on Wed Apr 02 09:20:08 GMT 2025
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EPA CompTox
DTXSID20959389
Created by admin on Wed Apr 02 09:20:08 GMT 2025 , Edited by admin on Wed Apr 02 09:20:08 GMT 2025
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PUBCHEM
189105
Created by admin on Wed Apr 02 09:20:08 GMT 2025 , Edited by admin on Wed Apr 02 09:20:08 GMT 2025
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