(3β,5Alpha,6Alpha,20R)-Pregn-9(11)-Ene-3,6,20-Triol

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Properties Simple | Detailed

Formula C21H34O3
IUPAC Name (3s,5s,6s,8s,10s,13s,14s,17s)-17-[(1r)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
Molecular Mass 334.493 g·mol−1
Heat of Formation -761.3 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 433.79 Å 3
Surface Area 341.31 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,6s,8s,10s,13s,14s,17s)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6-diol
  • asterogenol
  • pregn-9(11)-ene-3,6,20-triol, (3beta,5alpha,6alpha,20r)-
CAS Number(s)
  • 75921-90-3
InChIKey XCGDFVUIBHDDNK-JMGMBTOPSA-N
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DOI
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