(8S,10R,13S,14S,17R)-17-Hydroxy-13-Methyl-10-(4-Methylbenzyl)-17-(1-Propyn-1-Yl)-1,2,6,7,8,10,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Formula C29H34O2
IUPAC Name (8s,10r,13s,14s,17r)-17-hydroxy-13-methyl-17-prop-1-ynyl-10-(p-tolylmethyl)-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 414.579 g·mol−1
Heat of Formation -125.0 ± 16.7 kJ·mol−1
Dipole Moment 7.10 ± 1.08 D
Volume 530.36 Å 3
Surface Area 422.3 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10r,13s,14s,17r)-17-hydroxy-13-methyl-10-(4-methylbenzyl)-17-prop-1-ynyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,10r,13s,14s,17r)-17-hydroxy-13-methyl-10-[(4-methylphenyl)methyl]-17-prop-1-ynyl-2,6,7,8,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • ru 43044
  • ru-43044
CAS Number(s)
  • 136959-96-1
InChIKey NSUUUQRFPXZFLI-FMBHSAPWSA-N
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