(3β,5Alpha,6Alpha)-3,6-Dihydroxypregn-9(11)-En-20-One

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Formula C21H32O3
IUPAC Name 1-[(3s,5s,6s,8s,10s,13s,14s,17s)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Mass 332.477 g·mol−1
Heat of Formation -704.4 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 425.35 Å 3
Surface Area 336.53 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(3s,5s,6s,8s,10s,13s,14s,17s)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethanone
  • 5alpha-pregn-9(11)-ene-3beta,6alpha-diol-20-one
  • asterone
CAS Number(s)
  • 37717-02-5
InChIKey KFNFTGFTYYZZRD-VYXAABIESA-N
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