1-[(3S,8S,9S,10R,13S,14S,17S)-3-[Hydroxy(Methoxy)Phosphinothioyl]Oxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethanone

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Formula C22H35O4PS
IUPAC Name 1-[(3s,8s,9s,10r,13s,14s,17s)-3-[hydroxy(methoxy)phosphinothioyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 426.550 g·mol−1
Heat of Formation -1135.7 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 522.14 Å 3
Surface Area 412.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
InChIKey OTIRNHUFDPCFBQ-BBKLLFCESA-N
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