11B-(4-Dimethylaminophenyl)-17A-Hydroxy-17B-(3-Hydroxypropyl)-13A-Methyl-4,9-Gonadien-3-One

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Properties Simple | Detailed

Formula C29H37NO3
IUPAC Name (8s,11r,13r,14s,17s)-11-(4-dimethylaminophenyl)-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 447.609 g·mol−1
Heat of Formation -527.0 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 570.43 Å 3
Surface Area 456.28 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • zk-98299
InChIKey IEXUMDBQLIVNHZ-YOUGDJEHSA-N
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