(3β,7Alpha,15β,16Alpha,17β)-2,21-Dioxo-16-Vinyl-19,20-Didehydro-16,17-Dihydroformosanan-17-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H30N2O9
IUPAC Name (3s,3's,4'r,4'as,5'ar)-4'-ethenyl-3'-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[1h-indole-3,6'-4,4a,5,5a,7,8-hexahydro-3h-pyrano[5,4-f]indolizine]-2,10'-dione
Molecular Mass 514.524 g·mol−1
Heat of Formation 1556.1 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 495.05 Å 3
Surface Area 417.85 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -3.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3's,4'r,4'as,5'ar)-4'-ethenyl-3'-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-spiro[1h-indole-3,6'-4,4a,5,5a,7,8-hexahydro-3h-pyrano[5,4-f]indolizine]-2,10'-dione
  • (3s,4r,4as,5ar,6s)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-spiro[4,4a,5,5a,7,8-hexahydro-3h-pyrano[5,4-f]indolizine-6,3'-indoline]-2',10-dione
  • (3s,4r,4as,5ar,6s)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-vinyl-spiro[4,4a,5,5a,7,8-hexahydro-3h-pyrano[5,4-f]indolizine-6,3'-indoline]-2',10-quinone
  • (3s,4r,4as,5ar,6s)-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-vinylspiro[4,4a,5,5a,7,8-hexahydro-3h-pyrano[5,4-f]indolizine-6,3'-indoline]-2',10-dione
InChIKey UXDQUMNIWFOBFX-NXTSHNLASA-N
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