(2S,3R,3Ar,6Ar,7S,7Dr,8R,14Bs,14Cs)-12-Chloro-2-Isopropenyl-14B,14C,17,17-Tetramethyl-10-Methylene-3,3A,6,6A,7,8,9,9A,10,11,14,14B,14C,15,16,16A-Hexadecahydro-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,7D(5H)-Triol

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Properties Simple | Detailed

Formula C37H44ClNO6
IUPAC Name penitrem a
Molecular Mass 634.201 g·mol−1
Heat of Formation 3650.7 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 680.89 Å 3
Surface Area 529.32 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -2.55 ± eV
Point Group Symmetry C1
InChIKey JDUWHZOLEDOQSR-APQJLYGFSA-N
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Elements C N O Cl