(1R,3Ar,5As,7Ar,9S,11Ar,11Br,13As,13Bs)-1-Isopropyl-3A,5A,8,8,11A,13A-Hexamethyl-2,3,3A,4,5,5A,7,7A,8,9,10,11,11A,11B,12,13,13A,13B-Octadecahydro-1H-Cyclopenta[A]Chrysen-9-Ol

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Formula C30H50O
IUPAC Name (1r,3ar,5as,7ar,9s,11ar,11br,13as,13bs)-1-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Molecular Mass 426.717 g·mol−1
Heat of Formation -398.3 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 575.37 Å 3
Surface Area 412.92 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • d:c-friedolup-7-en-3-ol, (3beta,13alpha,14beta,19beta)-
  • nematocyphol
CAS Number(s)
  • 143490-50-0
InChIKey QOYZWNYLMKAORW-XKIBWVOHSA-N
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