23-Hydroxytormentic Acid

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Formula C30H42O6
IUPAC Name (1r,2r,4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 498.651 g·mol−1
Heat of Formation -1411.4 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 613.22 Å 3
Surface Area 434.32 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 4.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-1,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (2a,3b,4a)-2,3,19,23-tetrahydroxyurs-12-en-28-oic acid
  • niga-ichigoside f1 aglycone
InChIKey YCOKATFNRPZIIU-NIZSJLHKSA-N
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