Org-34517

(8S,11R,13S,14S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Also Known As: Org-34517|Org 34517|Org34517|PT150|Org 34517;|PT-150|SID:508839316|J1.199.088F|(11b,17b)-11-(1,3-Benzodioxol-5-yl)-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one|(8S,11R,13S,14S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one|(8S,11R,13S,14S,17S)-11-(benzo[d][1,3]dioxol-5-yl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one|(11b,17b)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one|(17S)-11beta-(1,3-Benzodioxole-5-yl)-17-hydroxy-17-(1-propynyl)estra-4,9-diene-3-one|11beta-(1,3-Benzodioxole-5-yl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-diene-3-one|(11R,13S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta(a)phenanthren-3-one|(1S,3aS,3bS,10R,11aS)-10-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta(a)phenanthren-7-one|(1S,3aS,3bS,10R,11aS)-10-(2H-1,3-benzodioxol-5-yl)-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|ESTRA-4,9-DIEN-3-ONE, 11-(1,3-BENZODIOXOL-5-YL)-17-HYDROXY-17-(1-PROPYN-1-YL)-, (11.BETA.,17.BETA.)-

Molecular Formula	C28H30O4
Molecular Weight	430.21442 g/mol
LogP	5.0692
Topological Polar Surface Area	55.76 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	430.21442
Monoisotopic Mass	430.21442
Heavy Atoms	32
Complexity	1131.8219

Chemical Identifiers

CAS Number	189035-07-2
SMILES	CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC6=C(C=C5)OCO6)C)O