(1R,2R,4As,6Ar,8R,9R,10As,12As)-9-Acetoxy-8-(α-D-Galactopyranosyloxy)-2,4A,7,7,10A,12A-Hexamethyl-2-[(2R)-3-Methyl-2-Butanyl]-1,2,3,4,4A,5,6,6A,7,8,9,10,10A,11,12,12A-Hexadecahydro-1-Chrysenecarboxylic Acid

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Properties Simple | Detailed

Formula C38H62O10
IUPAC Name (1r,2r,4as,6ar,8r,9r,10as,12as)-9-acetyloxy-2-[(1r)-1,2-di(methyl)propyl]-2,4a,7,7,10a,12a-hexamethyl-8-[(2r,3r,4s,5r,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaid-2-yl]oxy-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylate
Molecular Mass 678.893 g·mol−1
Heat of Formation -2174.4 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 839.33 Å 3
Surface Area 592.36 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,6ar,8r,9r,10as,12as)-9-acetoxy-2-[(1r)-1,2-dimethylpropyl]-2,4a,7,7,10a,12a-hexamethyl-8-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylic acid
  • (1r,2r,4as,6ar,8r,9r,10as,12as)-9-acetoxy-2-[(1r)-1,2-dimethylpropyl]-2,4a,7,7,10a,12a-hexamethyl-8-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylic acid
  • (1r,2r,4as,6ar,8r,9r,10as,12as)-9-acetoxy-2-[(1r)-1,2-dimethylpropyl]-2,4a,7,7,10a,12a-hexamethyl-8-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylic acid
  • (1r,2r,4as,6ar,8r,9r,10as,12as)-9-acetyloxy-2,4a,7,7,10a,12a-hexamethyl-2-[(2r)-3-methylbutan-2-yl]-8-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,6a,8,9,10,11,12-decahydro-1h-chrysene-1-carboxylic acid
  • 2-(1,2-dimethyl-propyl)-2,4a,7,7,10a,12a-hexamethyl-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-chrysene-1,9-dicarboxylic acid 9-methyl ester
  • alpha-l-arabinopyranoside, (1s,2r,4ar,6as,6br,10s,12ar)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propenyl)-4a,6a-methano-1h,6h-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl 3-o-(6-o-
  • fuscoatroside
  • rel-(1r,2r,4as,6ar,8s,9r,10as,12as)-2-(1,2-dimethylpropyl)-9-(methoxycarbonyl)-2,4a,7,7,10a,12a-hexamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,1
InChIKey VAULMUOCCMYLIA-GRTXKOHQSA-N
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