Methyl (1R,2R,3S,3Ar,8Bs)-6-({(2S,3R,6R)-6-[(1S)-1,2-Dihydroxyethyl]-3-Methoxy-1,4-Dioxan-2-Yl}Oxy)-1,8B-Dihydroxy-8-Methoxy-3A-(4-Methoxyphenyl)-3-Phenyl-2,3,3A,8B-Tetrahydro-1H-Benzo[B]Cyclopenta[D]Furan-2-Carboxylate

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Properties Simple | Detailed

Formula C34H38O13
IUPAC Name methyl (1r,2r,3s,3ar,8bs)-6-[[(2s,3r,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate
Molecular Mass 654.658 g·mol−1
Heat of Formation -2011.2 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 738.71 Å 3
Surface Area 547.17 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,3ar,8bs)-6-[[(2s,3r,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylic acid methyl ester
  • methyl (1r,2r,3s,3ar,8bs)-6-[[(2s,3r,6r)-6-[(1s)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1h-cyclopenta[b]benzofuran-2-carboxylate
InChIKey GVKXFVCXBFGBCD-JRPGFILLSA-N
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