cortexolone

• cortexolone
• bmse000512 - data

InCHi String:
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15?,16?,17?,19?,20-,21?/m0/s1

canonical SMILES:
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C
isomeric SMILES:
CC12CCC(=O)C=C1CCC3C2CC[C@]4(C3CCC4(C(=O)CO)O)C


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
(13S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

PUBCHEM iupac TRADITIONAL NAME
(13S)-17-glycoloyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

PUBCHEM iupac CAS NAME
(13S)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

PUBCHEM iupac SYSTEMATIC NAME
(13S)-17-hydroxy-17-(2-hydroxyethanoyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one



PubChem Substance (SID):   85165293   40723039   24278671
PubChem Compound (CID):   16219924
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich R0500_SIGMA   ChemSpider 17347237   MMCD cq_03082   MDL MFCD00003662