(3β)-3-[(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)Oxy]Olean-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C38H61NO8
IUPAC Name (2s,4ar,4br,7r,8r,10as,10br,12ar)-7-ethyl-1,1,4a,8,10a,10b-hexamethyl-2,3,4,4b,5,7,8,9,10,11,12,12a-dodecahydrochrysen-2-ol; ammonia; heptahydrate
Molecular Mass 659.893 g·mol−1
Heat of Formation -1802.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 817.32 Å 3
Surface Area 587.39 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-[[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • aridanin
  • olean-12-en-28-oic acid, 3-((2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)oxy)-, (3beta)-
  • olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-.beta.-d-glucopyranosyl]oxy]-, (3.beta.)-
CAS Number(s)
  • 81053-26-1
InChIKey VRFWJSCLROXBBW-FUHHSGJXSA-N
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