Catalog Number:
AG002PUT
Chemical Name:
Pregna-1,4-diene-3,20-dione
CAS Number:
24916-90-3
Molecular Formula:
C22H28O5
Molecular Weight:
372.4547
MDL Number:
MFCD07782140
IUPAC Name:
(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
InChI:
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19+,20+,21+,22-/m1/s1
InChI Key:
GBDXNHBVYAMODG-QDBZYVRYSA-N
SMILES:
OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@@H]1O[C@@]31[C@H]2CCC1=CC(=O)C=C[C@]31C
EC Number:
246-529-2
UNII:
45O198JS6W
