(5S,8R,9S,10S,12R,13S,14S,17S)-17-{(2S,3R,5R)-1-Chloro-2,3-Dihydroxy-5-[(1S,2S)-2-Methylcyclopropyl]-2-Hexanyl}-12-Hydroxy-10,13-Dimethylhexadecahydro-3H-Cyclopenta[A]Phenanthren-3-One (Non-Preferred Name)

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Formula C29H47ClO4
IUPAC Name (5s,8r,9s,10s,12r,13s,14s,17s)-17-[(1s,2r,4r)-1-(chloromethyl)-1,2-dihydroxy-4-[(1s,2s)-2-methylcyclopropyl]pentyl]-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 495.134 g·mol−1
Heat of Formation 611.9 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 611.76 Å 3
Surface Area 459.97 Å 2
Point Group Symmetry C1
Synonyms
  • (5s,8r,9s,10s,12r,13s,14s,17s)-17-[(1s,2r,4r)-1-(chloromethyl)-1,2-dihydroxy-4-[(1s,2s)-2-methylcyclopropyl]pentyl]-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
  • (5s,8r,9s,10s,12r,13s,14s,17s)-17-[(2s,3r,5r)-1-chloro-2,3-dihydroxy-5-[(1s,2s)-2-methylcyclopropyl]hexan-2-yl]-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
InChIKey IDJFQGHMTPJXRG-ABQXLVMOSA-N
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