(2α,3Beta)-2,3,23-Trihydroxyurs-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C30H48O5
IUPAC Name (1s,2r,4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 488.699 g·mol−1
Heat of Formation -1238.5 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 607.37 Å 3
Surface Area 433.23 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
  • (1s,2r,4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
  • asiatic acid
  • urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-
  • urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2alpha, 3beta, 4alpha)-
CAS Number(s)
  • 464-92-6
InChIKey JXSVIVRDWWRQRT-UYDOISQJSA-N
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