{(1R,4As,5R,8As)-1,4A-Dimethyl-6-Methylene-5-[2-(2-Oxo-2,5-Dihydro-3-Furanyl)Ethyl]Decahydro-1-Naphthalenyl}Methyl α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H40O8
IUPAC Name 4-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylene-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]decalin-1-yl]ethyl]-2h-furan-5-one
Molecular Mass 480.591 g·mol−1
Heat of Formation -1506.7 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 586.97 Å 3
Surface Area 452.93 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylene-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-1-decalinyl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylene-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]decalin-1-yl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylene-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]decalin-1-yl]ethyl]-5h-furan-2-one
  • 3-[2-[(1r,4as,5r,8as)-5,8a-dimethyl-2-methylidene-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]ethyl]-5h-furan-2-one
  • neoandrographolide
InChIKey YGCYRQKJYWQXHG-XHORUFSCSA-N
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