(3β,15Alpha,16Alpha,21β,22Alpha)-3,15,16,28-Tetrahydroxyolean-12-Ene-21,22-Diyl (2Z,2'E)Bis(2-Methyl-2-Butenoate)

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Properties Simple | Detailed

Formula C40H62O8
IUPAC Name [(3r,4r,4ar,5s,6r,6ar,6as,6br,8ar,10s,12ar,14bs)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(e)-2-methylbut-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (z)-2-methylbut-2-enoate
Molecular Mass 670.915 g·mol−1
Heat of Formation -1742.0 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 835.92 Å 3
Surface Area 569.41 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3r,4r,4ar,5s,6r,6ar,6as,6br,8ar,10s,12ar,14bs)-5,6,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-4-[(e)-2-methylbut-2-enoyl]oxy-4a-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3r,4r,4ar,5s,6r,6ar,6as,6br,8ar,10s,12ar,14bs)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-[(e)-2-methyl-1-oxobut-2-enoxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] ester
  • 21,22-darb
  • 21,22-di-o-angeloyl-r(1)-barrigenol
  • olean-12-ene-3,15,16,21,22,28-hexol, 3-azido-7,12-dihydroxy-n-(2-(2-(iodo-125i)-1h-imidazol-4-yl)ethyl)-, (3beta,15alpha,16alpha,21beta(z),22alpha(z))-
CAS Number(s)
  • 92948-00-0
InChIKey FWXLVXABZRYLST-WGXYYQAWSA-N
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