(3β,9β,18Alpha)-3-Hydroxy-11-Oxoolean-12-En-30-Oic Acid

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Properties Simple | Detailed

Formula C30H44O4
IUPAC Name (3s,4ar,6ar,6bs,8ar,12as,14as,14bs)-4,4,6a,6b,8a,14b-hexamethyl-11-methylene-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1h-picen-3-olate; carbon dioxide
Molecular Mass 468.668 g·mol−1
Heat of Formation -985.8 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 588.71 Å 3
Surface Area 425.34 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6as,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (2s,4as,6as,6as,6br,8ar,10s,12as,14bs)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
InChIKey MPDGHEJMBKOTSU-AOLSMHRZSA-N
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