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

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Formula C31H52O
IUPAC Name (3s,3as,5as,5bs,7ar,9s,11as,13ar,13bs)-3-isopropyl-9-methoxy-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene
Molecular Mass 440.744 g·mol−1
Heat of Formation -484.6 ± 16.7 kJ·mol−1
Dipole Moment 0.99 ± 1.08 D
Volume 599.49 Å 3
Surface Area 438.68 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 4.49 ± eV
Point Group Symmetry C1
Synonyms
  • d:c-friedo-b':a'-neogammacer-9(11)-ene, 3-methoxy-, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)-
  • hollow cylinder protein complex
CAS Number(s)
  • 17904-55-1
InChIKey MRNPHCMRIQYRFU-UWAWSDATSA-N
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