2-[(1S,2S,4S,5R,6R,8S,9S)-4-{[(4R,5R,6R,6As,9R,9Ae,10Ar)-5,9-Dihydroxy-3-Isopropyl-9-(Methoxymethyl)-6,10A-Dimethyl-1,2,4,5,6,6A,7,8,9,10A-Decahydrodicyclopenta[A,D][8]Annulen-4-Yl]Oxy}-5-Hydroxy-2-(Methoxymethyl)-9-Methyl-3,7,10,11-Tetraoxatricyclo[6.2.1.0~1,6~]Undec-9-Yl]Ethyl Formate

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Formula C34H52O12
IUPAC Name 2-[(1s,2s,4s,5r,6r,8s,9s)-4-[[(1e,3r,8r,9r,10r,11s,14r)-9,14-dihydroxy-6-isopropyl-14-(methoxymethyl)-3,10-dimethyl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-5-hydroxy-2-(methoxymethyl)-9-methyl-3,7,10,11-tetraoxatricyclo[6.2.1.01,6]undecan-9-yl]ethyl formate
Molecular Mass 652.769 g·mol−1
Heat of Formation -2102.2 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 774.95 Å 3
Surface Area 500.27 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
InChIKey CNGPQGIMXIOGEW-PHTTWUKLSA-N
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