Methyl (3β)-3-Acetoxy-27-(Benzoyloxy)Olean-12-En-28-Oate

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Properties Simple | Detailed

Formula C40H56O6
IUPAC Name 2-[3-[(1s,2s,4ar,4br,6as,10as,12ar)-4b-(benzoyloxymethyl)-1,4a-dimethyl-2-(1-methylvinyl)-6a-(oxidomethyl)spiro[2,3,4,5,6,7,10,10a,12,12a-decahydrochrysene-9,1'-cyclopropane]-1-yl]propoxy]ethynolate; methanone
Molecular Mass 632.869 g·mol−1
Heat of Formation -1297.1 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 788.08 Å 3
Surface Area 542.76 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6ar,6br,8ar,10s,12ar,14bs)-10-acetoxy-2,2,6b,9,9,12a-hexamethyl-6a-[(oxo-phenylmethoxy)methyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester
  • (4as,6ar,6ar,6br,8ar,10s,12ar,14bs)-10-acetoxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester
  • methyl (4as,6ar,6ar,6br,8ar,10s,12ar,14bs)-10-acetoxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • methyl (4as,6ar,6ar,6br,8ar,10s,12ar,14bs)-10-acetyloxy-2,2,6b,9,9,12a-hexamethyl-6a-(phenylcarbonyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • methyl (4as,6ar,6ar,6br,8ar,10s,12ar,14bs)-10-acetyloxy-6a-(benzoyloxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
  • olean-12-en-28-oic acid, 3-(acetyloxy)-27-(benzoyloxy)-, methyl ester, (3beta)-
CAS Number(s)
  • 102637-01-4
InChIKey ZPQZGHAQCJAOQE-YHMSRXDCSA-N
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