CAS Registry Number®
39219-28-8
CAS Name
Promestriene
Molecular Formula
C22H32O2
Molecular Mass
328.49
Other Names and Identifiers
InChI
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey
InChIKey=IUWKNLFTJBHTSD-AANPDWTMSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OCCC)=CC4)(CC1)[H])[H])(CC[C@@H]2OC)[H]
Canonical SMILES
O(C1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC)CCC34)CCC
Other Names for this Substance
- Estra-1,3,5(10)-triene, 17-methoxy-3-propoxy-, (17β)-
- (17β)-17-Methoxy-3-propoxyestra-1,3,5(10)-triene
- 3-Propoxy-17β-methoxyestra-1,3,5(10)-triene
- Promestriene