Catalog Number:
AG00397O
Chemical Name:
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
CAS Number:
53-03-2
Molecular Formula:
C21H26O5
Molecular Weight:
358.4281
MDL Number:
MFCD00003608
IUPAC Name:
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
InChI:
InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChI Key:
XOFYZVNMUHMLCC-ZPOLXVRWSA-N
SMILES:
OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
EC Number:
200-160-3
UNII:
VB0R961HZT
NSC Number:
10023
