(3α,5α,6Beta,25α)-Cev-13(17)-Ene-3,6-Diol

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Properties Simple | Detailed

Formula C27H43NO2
IUPAC Name (3alpha,5alpha,6beta,25alpha)-cev-13(17)-ene-3,6-diol
Molecular Mass 413.636 g·mol−1
Heat of Formation -586.1 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 542.48 Å 3
Surface Area 410.86 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 5alpha,14alpha-cevanine-13,17-dehydro-3alpha,6beta-diol
  • cevane-3,6-diol, 13,17-didehydro-, (3alpha,5alpha,6beta,25alpha)-
CAS Number(s)
  • 130320-51-3
InChIKey OEJGVNMSFPGDPP-RHNKUPFDSA-N
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