Catalog Number:
AG0038OS
Chemical Name:
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
CAS Number:
50-24-8
Molecular Formula:
C21H28O5
Molecular Weight:
360.4440
MDL Number:
MFCD00003649
IUPAC Name:
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChI Key:
OIGNJSKKLXVSLS-VWUMJDOOSA-N
SMILES:
OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
EC Number:
200-021-7
UNII:
9PHQ9Y1OLM
