11-alpha-hydroxyprogesterone

• 11-alpha-hydroxyprogesterone
• bmse000529 - data

InCHi String:
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1

canonical SMILES:
CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
isomeric SMILES:
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C


PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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



PubChem Substance (SID):   85165310   669640   8144795
PubChem Compound (CID):   92730
KEGG: Compound ID   n/a
CAS Registry IDs:   80-75-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich H5502_SIGMA   ChEBI CHEBI:16076   ChemSpider 83709   EINECS 201-306-9   ZINC ZINC03881614   ChemIDplus 000080751   MLSMR MLS000028508   MMCD cq_02218   MDL MFCD00003652