Quillaja Sapogenin

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Formula C30H46O5
IUPAC Name (4ar,5r,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 486.683 g·mol−1
Heat of Formation -1152.2 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 605.38 Å 3
Surface Area 431.33 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
  • (4ar,5r,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-5,10-dihydroxy-9-methanoyl-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4ar,5r,6ar,6as,6br,8ar,9s,10s,12ar,14bs)-9-formyl-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • quillaic acid
CAS Number(s)
  • 631-01-6
InChIKey MQUFAARYGOUYEV-UAWZMHPWSA-N
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