2-[(2S,4As,4Br,6As,12Bs,12Cs,14As)-4A,12B,12C-Trimethyl-3,4,4A,4B,5,6,6A,7,12,12B,12C,13,14,14A-Tetradecahydro-2H-Chromeno[5',6':6,7]Indeno[1,2-B]Indol-2-Yl]-2-Propanol

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Properties Simple | Detailed

Formula C28H39NO2
IUPAC Name paspaline
Molecular Mass 421.615 g·mol−1
Heat of Formation -380.7 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 529.84 Å 3
Surface Area 411.47 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyrano(5',6':6,7)indeno(1,2-b)indole-2-methanol, 3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-alpha,alpha,4a,12b,12c-pentamethyl-, (2s-(2alpha,4aalpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta))-
CAS Number(s)
  • 11024-56-9
InChIKey WLAIEIMDXUAGPY-HSECPPETSA-N
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DOI
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