Catalog Number:
AG0012OS
Chemical Name:
19-Norpregna-4,20-diene-21-carboxylic acid, 17,20-[(1-methoxyethylidene)bis(oxy)]-3-oxo-, methyl ester, (17α,20E)-
CAS Number:
1370003-76-1
Molecular Formula:
C25H34O6
Molecular Weight:
430.5339
MDL Number:
MFCD30343804
IUPAC Name:
methyl (2E)-2-[(8R,9S,10R,13S,14S,17S)-2'-methoxy-2',13-dimethyl-3-oxospiro[1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-1,3-dioxolane]-4'-ylidene]acetate
InChI:
InChI=1S/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17-,18+,19+,20-,23-,24?,25+/m0/s1
InChI Key:
KCQHQCDHFVGNMK-PQUNLUOYSA-N
SMILES:
COC(=O)/C=C\1/OC(O[C@@]21CC[C@@H]1[C@]2(C)CC[C@H]2[C@H]1CCC1=CC(=O)CCC21)(C)OC
