(3α,20S)-Pregn-4-Ene-3,20-Diol

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Properties Simple | Detailed

Formula C21H34O2
IUPAC Name (3r,8s,9s,10r,13s,14s,17s)-17-[(1s)-1-hydroxyethyl]-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 318.493 g·mol−1
Heat of Formation -582.2 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 420.55 Å 3
Surface Area 329.25 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 3.91 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pregnene-3,20-diol
  • 4-pregnene-3alpha,20alpha-diol
CAS Number(s)
  • 15780-16-2
InChIKey IBMZAHKIAAJREF-MZQZJKNOSA-N
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