(3β,16β)-Oleana-11,13(18)-Diene-3,16,23,28-Tetrol

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Properties Simple | Detailed

Formula C30H40O4
IUPAC Name 2-[(1s,2s,4ar,5s,6z,8ar)-6-[5-ethynyl-2-(oxomethylene)cyclohexylidene]-1,4a,5-trimethyl-5-(2-oxoethyl)-1-(3-oxopropyl)-2,3,4,8a-tetrahydronaphthalen-2-yl]propan-1-olate
Molecular Mass 464.636 g·mol−1
Heat of Formation -980.7 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 597.95 Å 3
Surface Area 427.43 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 3.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,4alpha,16beta)-oleana-11,13(18)-diene-3,16,23,28-tetrol
  • (3s,4r,4ar,6ar,6bs,8s,8as,14ar,14bs)-4,6a,6b,11,11,14b-hexamethyl-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
  • (3s,4r,4ar,6ar,6bs,8s,8as,14ar,14bs)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol
InChIKey QGNVMEXLLPGQEV-HSFRRAFJSA-N
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