(2R,3S,3Ar,4As,4Bs,6Ar,7S,7Ds,8S,9As,14Bs,14Cr,16As)-2-Isopropenyl-14B,14C,17,17-Tetramethyl-10-Methylene-3,3A,5,6,6A,7,7D,8,9,9A,10,11,14,14B,14C,15,16,16A-Octadecahydro-2H,4Bh-7,8-(Epoxymethano)Cyclobuta[5,6]Benzo[1,2-E]Oxireno[4',4A']Chromeno[5',6':6,7]Indeno[1,2-B]Indole-3,4B-Diol

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Formula C37H45NO5
IUPAC Name (2r,3s,3ar,4as,4bs,6ar,7s,7ds,8s,9as,14bs,14cr,16as)-2-isopropenyl-14b,14c,17,17-tetramethyl-10-methylene-3,3a,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-2h,4bh-7,8-(epoxymethano)cyclobuta[5,6]benzo[1,2-e]oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indole-3,4b-diol
Molecular Mass 583.757 g·mol−1
Heat of Formation -542.1 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 689.19 Å 3
Surface Area 490.06 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • penitrem b
CAS Number(s)
  • 11076-67-8
InChIKey CRPJNVUYZRFGAK-WKAGVDCZSA-N
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