(3β,5Alpha,12Alpha,13β)-28-Methyl-6-Oxo-5,6,12,13-Tetrahydroveratraman-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C34H57NO7
IUPAC Name (11br)-9-[1-(1,5-dimethyl-2-piperidyl)ethyl]-10,11b-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
Molecular Mass 591.819 g·mol−1
Heat of Formation -1588.8 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 756.96 Å 3
Surface Area 565.89 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 3.96 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethyl-2-piperidinyl]ethyl]-10,11b-dimethyl-3-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethyl-2-piperidyl]ethyl]-10,11b-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
  • (3s,4as,6as,6br,9r,10r,10as,11as,11br)-9-[(1s)-1-[(2r,5s)-1,5-dimethyl-2-piperidyl]ethyl]-10,11b-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,3,4,4a,6,6a,6b,7,8,9,10,10a,11,11a-tetradecahydro-1h-benzo[a]fluoren-5-one
InChIKey OAWUSFAEJKJJFY-DWVTVOBCSA-N
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