(1S,3As,5As,5Bs,7Ar,11As,13Ar,13Bs)-1-Isopropyl-3A,5A,8,8,11A,13A-Hexamethyl-1,2,3,3A,4,5,5A,5B,6,7,7A,8,10,11,11A,13,13A,13B-Octadecahydro-9H-Cyclopenta[A]Chrysen-9-One

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Formula C30H48O
IUPAC Name (1s,3as,5as,5bs,7ar,11as,13ar,13bs)-1-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-2,3,4,5,5b,6,7,7a,10,11,13,13b-dodecahydro-1h-cyclopenta[a]chrysen-9-one
Molecular Mass 424.702 g·mol−1
Heat of Formation -475.7 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 570.02 Å 3
Surface Area 412.7 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • d:c-friedolup-9(11)-en-3-one, (8beta,13beta,14alpha,17alpha)-
  • hancolupenone
CAS Number(s)
  • 132746-04-4
InChIKey VTRXZBXHHPHXRX-YFDCDDMRSA-N
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