(2S,4As,6S)-6-{(1S,2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methyl-5-Methylene-2-Heptanyl]Cyclopentyl}-4A-Methyl-5-Oxo-1,2,3,4,4A,5,6,7-Octahydro-2-Naphthalenyl 4-O-Acetyl-6-Deoxy-α-L-Galactopyranoside

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Properties Simple | Detailed

Formula C36H58O8
IUPAC Name [(2s,3s,4s,5s,6r)-6-[[(2s,4as,6s)-6-[(1s,2r,3r)-3-[(1r)-1,5-dimethyl-4-methylene-hexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4a-methyl-5-oxo-1,2,3,4,6,7-hexahydronaphthalen-2-yl]oxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl] acetate
Molecular Mass 618.841 g·mol−1
Heat of Formation -1746.6 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 798.55 Å 3
Surface Area 611.99 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 3.52 ± eV
Point Group Symmetry C1
InChIKey CIHGETLJKNFXQD-NUAFNPKYSA-N
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