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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O5
Molecular Weight 374.4706
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Penicildione B

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO

InChI

InChIKey=TUIYCBORCUOUBA-QDBZYVRYSA-N
InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h9,12,15-16,18,23,26H,4-8,10-11H2,1-3H3/t12-,15+,16+,18+,19+,20+,21+,22-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Penicildione B
Common Name English
(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-Hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
Preferred Name English
(9?,11?,16?)-9,11-Epoxy-17,21-dihydroxy-16-methylpregn-4-ene-3,20-dione
Systematic Name English
Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-, (9?,11?,16?)-
Systematic Name English
Code System Code Type Description
CAS
2770242-92-5
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
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PUBCHEM
171120955
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
PRIMARY
FDA UNII
UGM6S3FF5W
Created by admin on Wed Apr 02 20:39:39 GMT 2025 , Edited by admin on Wed Apr 02 20:39:39 GMT 2025
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