(3β,6β)-Olean-12-Ene-3,6-Diol

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Formula C30H50O2
IUPAC Name (3s,4ar,5r,6ar,6bs,8ar,12ar,14ar,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5-diol
Molecular Mass 442.717 g·mol−1
Heat of Formation 364.6 ± 16.7 kJ·mol−1
Dipole Moment 36.85 ± 1.08 D
Volume 573.97 Å 3
Surface Area 411.74 Å 2
HOMO Energy -4.91 ± 0.55 eV
LUMO Energy -3.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4ar,5r,6ar,6bs,8ar,12ar,14ar,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5-diol
  • daturadiol
  • olean-12-ene-3,6-diol, (3beta,6beta)-
CAS Number(s)
  • 41498-79-7
InChIKey JYNBNJRQZZSLPN-NYVWVNPOSA-N
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