CAS Registry Number®
730962-28-4
CAS Name
19-Norpregn-9-ene-3,20-dione, 17-(acetyloxy)-11-[4-(dimethylamino)phenyl]-5-hydroxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,11β)-
Molecular Formula
C32H43NO6
Molecular Mass
537.69
Compound Properties
-
Melting Point (1)
220-223 °C
Source(s)
- (1) Kim, Hyun K.; WO2004078709, A2, 2004, CAplus
Other Names and Identifiers
InChI
InChI=1S/C32H43NO6/c1-20(34)32(39-21(2)35)15-12-26-24-10-13-30(36)19-31(37-16-17-38-31)14-11-27(30)28(24)25(18-29(26,32)3)22-6-8-23(9-7-22)33(4)5/h6-9,24-26,36H,10-19H2,1-5H3/t24-,25+,26-,29-,30+,32-/m0/s1
InChIKey
InChIKey=AZVGVNDMOMRAMV-FVVWIZSMSA-N
SMILES
O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3(C([C@H](C2)C4=CC=C(N(C)C)C=C4)=C5[C@@](O)(CC3)CC6(CC5)OCCO6)[H])[H]
Canonical SMILES
O=C(OC1(C(=O)C)CCC2C3C(=C4CCC5(OCCO5)CC4(O)CC3)C(C6=CC=C(C=C6)N(C)C)CC21C)C
Other Names for this Substance
- 19-Norpregn-9-ene-3,20-dione, 17-(acetyloxy)-11-[4-(dimethylamino)phenyl]-5-hydroxy-, cyclic 3-(1,2-ethanediyl acetal), (5α,11β)-
- 3,3-(1,2-Ethanedioxy)-5α-hydroxy-11β-(4-N,N-dimethylaminophenyl)-17α-acetoxy-19-norpregna-9-en-20-one
