Odorigenin

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Properties Simple | Detailed

Formula C23H34O4
IUPAC Name 3-[(3s,5s,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 374.514 g·mol−1
Heat of Formation -866.1 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 462.05 Å 3
Surface Area 358.48 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-beta,14-dihydroxy-5-alpha-card-20(22)-enolide
  • 3beta,14-dihydroxy-5alpha-card-20(22)-enolide
  • 4-[(3s,5s,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 5-alpha-card-20(22)-enolide, 3-beta,14-dihydroxy- (8ci)
  • 5alpha-card-20(22)-enolide, 3beta,14-dihydroxy- (8ci)
  • card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5alpha)- (9ci)
InChIKey XZTUSOXSLKTKJQ-CIXPXFMPSA-N
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