(3β)-3-[(3-Carboxypropanoyl)Oxy]Olean-9(11)-En-30-Oic Acid

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Properties Simple | Detailed

Formula C34H42O6
IUPAC Name 4-[[(3s,4as,6ar,6as,6br,8ar,12as,14bs)-4-ethynyl-6a,6b,8a,14b-tetramethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13-tetradecahydropicen-4-id-3-yl]oxy]-4-oxo-but-2-ynoate; carbon dioxide
Molecular Mass 546.694 g·mol−1
Heat of Formation -1467.8 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 695.8 Å 3
Surface Area 515.28 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 3.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6ar,6bs,8ar,10s,12as,14ar,14bs)-10-(4-hydroxy-1,4-dioxobutoxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
  • (2s,4as,6ar,6bs,8ar,10s,12as,14ar,14bs)-10-(4-hydroxy-4-keto-butanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
  • (2s,4as,6ar,6bs,8ar,10s,12as,14ar,14bs)-10-(4-hydroxy-4-oxo-butanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
  • (2s,4as,6ar,6bs,8ar,10s,12as,14ar,14bs)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14,14a,14b-tetradecahydropicene-2-carboxylic acid
  • 3beta-(3-carboxypropionyloxy)-9(11)-oleanen-30-saeure
  • 3beta-hydroxyolean-9(11)-en-30-oic acid, hydrogen succinate
  • deloxolone
  • deloxolone sodium
  • deloxolonum
CAS Number(s)
  • 68635-50-7
InChIKey VRFVGZRKFFTPCG-KYHPDETOSA-N
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