21-hydroxyprogesterone

• 21-hydroxyprogesterone
• bmse000535 - data

InCHi String:
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

canonical SMILES:
CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C
isomeric SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C


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

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

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



PubChem Substance (SID):   85165316   26737269   12146618
PubChem Compound (CID):   6166
KEGG: Compound ID   C03205
CAS Registry IDs:   64-85-7
PDB Chemical Component   1CA
Miscellaneous Databases and IDs:   Sigma-Aldrich D6875_SIGMA   ChEBI CHEBI:16973   LipidMAPS LMST02030087   ZINC ZINC03833823   ChemIDplus 000064857   SMID 1CA   ChemSpider 5932   MMDB 34430.3   EINECS 200-596-4   NCGC NCGC00021304-03   MMCD cq_01932   MDL MFCD00003661