3B-[(2-O-Acetyl-6-Deoxy-3-O-Methyl-A-L-Glucopyranosyl)Oxy]-7B,8Epoxy-14-Hydroxy-5B-Card-20(22)-Enolide

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Properties Simple | Detailed

Formula C32H16O10
IUPAC Name formaldehyde; (1'z,4r,14'z)-14'-(3-hydroxyprop-2-ynyl)-15'-methyl-2',7-dimethylene-6'-(oxomethylene)spiro[3,5a-dihydropyrano[2,3-b][1,4]dioxepine-4,5'-bicyclo[8.7.0]heptadeca-1(10),14-dien-3,7,12,16-tetrayne]-2,8,9',11'-tetrone
Molecular Mass 560.463 g·mol−1
Heat of Formation 2367.8 ± 16.7 kJ·mol−1
Dipole Moment 11.19 ± 1.08 D
Volume 534.41 Å 3
Surface Area 452.08 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -2.45 ± eV
Point Group Symmetry C1
InChIKey BTRWTSHCXGFFFL-NNYOWCKQSA-N
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