(3β,16Alpha)-3,16-Dihydroxyolean-12-En-28-Oic Acid

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Formula C30H48O4
IUPAC Name (4ar,5r,6ar,6as,6br,8ar,10s,12ar,14bs)-5,10-dihydroxy-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
Molecular Mass 472.700 g·mol−1
Heat of Formation -1060.8 ± 16.7 kJ·mol−1
Dipole Moment 0.87 ± 1.08 D
Volume 600.62 Å 3
Surface Area 428.52 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3.beta.,16.alpha.)-3,16-dihydroxyolean-12-en-28-oic acid
  • (4ar,5r,6ar,6as,6br,8ar,10s,12ar,14bs)-5,10-dihydroxy-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
  • echinocystic acid
CAS Number(s)
  • 510-30-5
InChIKey YKOPWPOFWMYZJZ-PRIAQAIDSA-N
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