Catalog Number:
AG0034TH
Chemical Name:
Estradiene dione-3-keta
CAS Number:
5571-36-8
Molecular Formula:
C20H26O3
Molecular Weight:
314.4186
MDL Number:
MFCD08062585
IUPAC Name:
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one
InChI:
InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1
InChI Key:
XUOQKQRMICQUQC-AOIWGVFYSA-N
SMILES:
O=C1CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=C1CCC1(C2)OCCO1
