(3β,5Xi,18Alpha)-3-[(3-Carboxypropanoyl)Oxy]-11-Oxoolean-12-En-29-Oic Acid

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Properties Simple | Detailed

Formula C34H100O7
IUPAC Name carbanide; carbon; ethane; 4-hydroxy-4-oxo-butanoate; λ1-carbane; λ2-carbane; methane; (2r)-3-methanidylbutan-2-ol; 2-methanidylpropane; (e)-pent-2-en-3-olate; hydroxide
Molecular Mass 621.154 g·mol−1
Heat of Formation 1266.1 ± 16.7 kJ·mol−1
Dipole Moment 61.22 ± 1.08 D
Volume 661.51 Å 3
Surface Area 505.71 Å 2
HOMO Energy -7.37 ± 0.55 eV
LUMO Energy -4.56 ± eV
Point Group Symmetry C1
InChIKey OBZHEBDUNPOCJG-POOAJTSASA-N
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