Specification
Synonyms
4-Pregnene-11β,21-diol-3,20-dione
IUPAC Name
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChI Key
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
Boiling Point
529.2ºC at 760mmHg
Melting Point
179-183ºC(lit.)
Hazard Statements
Xi,N,Xn,T
Stability
Stable, but light sensitive. Incompatible with strong oxidizing agents.