Borapetoside C

Molecule SVG Image

Properties Simple | Detailed

Formula C27H36O11
IUPAC Name 3-[(1r)-1-[[(2s,4ar,6r,6ar,10as,10bs)-2-(2,3-dihydrofuran-1-ium-2-ylium-3-id-4-yl)-6a,10b-dimethyl-4-oxo-7-(oxomethylene)-2,4a,5,6,8,9,10,10a-octahydro-1h-benzo[f]isochromen-8-id-6-yl]oxy]-2-oxo-ethoxy]-2,4-dioxo-but-3-enal; methanone
Molecular Mass 536.568 g·mol−1
Heat of Formation -1869.9 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 611.26 Å 3
Surface Area 446.33 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4ar,6r,6ar,10as,10bs)-2-(3-furyl)-4-keto-6a,10b-dimethyl-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylic acid methyl ester
  • (2s,4ar,6r,6ar,10as,10bs)-2-(3-furyl)-6a,10b-dimethyl-4-oxo-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylic acid methyl ester
  • methyl (2s,4ar,6r,6ar,10as,10bs)-2-(3-furyl)-6a,10b-dimethyl-4-oxo-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
  • methyl (2s,4ar,6r,6ar,10as,10bs)-2-furan-3-yl-6a,10b-dimethyl-4-oxo-6-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate
InChIKey RBPCODNTTHTSFN-ZDMQDBCMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O