Iso-Iguesterin

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Properties Simple | Detailed

Formula C28H36O2
IUPAC Name (6as,6bs,8ar,12ar,14ar)-3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylene-7,8,9,10,12,12a,13,14-octahydropicen-2-one
Molecular Mass 404.584 g·mol−1
Heat of Formation -276.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 508.89 Å 3
Surface Area 385.02 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (6as,6bs,8ar,12ar,14ar)-3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylene-7,8,9,10,12,12a,13,14-octahydropicen-2-one
  • (6as,6bs,8ar,12ar,14ar)-3-hydroxy-4,6a,6b,8a,14a-pentamethyl-11-methylidene-7,8,9,10,12,12a,13,14-octahydropicen-2-one
  • 2(6bh)picenone, 7,8,8a,9,10,11,12,12a,12b,13,14,14a-dodecahydro-3-hydroxy-4,6b,8a,12b,14a-pentamethyl-11-methylene-, (6b.alpha.,8a.alpha.,12a.alpha.,12b.beta.,14a.alpha.)-
  • b811595k066
  • salacia madagascariensis b811595
InChIKey RUVGAOXZLPFVKY-IPTPSVHJSA-N
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