Carbenoxalone

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Properties Simple | Detailed

Formula C34H38O7
IUPAC Name (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-(4-hydroxy-4-oxobutanoyl)oxy-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
Molecular Mass 558.661 g·mol−1
Heat of Formation -1606.5 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 700.01 Å 3
Surface Area 517.18 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-(4-hydroxy-1,4-dioxobutoxy)-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
  • (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-(4-hydroxy-4-keto-butanoyl)oxy-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,6ar,6as,6br,8ar,10s,12as,14br)-10-(4-hydroxy-4-oxo-butanoyl)oxy-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
  • (3beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid
  • bpbio1_000873
  • cbo
InChIKey OBZHEBDUNPOCJG-WBXJDKIVSA-N
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