(3β)-3,23-Dihydroxyurs-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C30H48O4
IUPAC Name (1s,2r,4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 472.700 g·mol−1
Heat of Formation -1046.1 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 594.88 Å 3
Surface Area 422.89 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
  • (1s,2r,4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
InChIKey NZCULBURCGAPSF-PQWKYGPVSA-N
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