Methyl Ursolate

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Properties Simple | Detailed

Formula C31H50O3
IUPAC Name (2s,4ar,4br,7s,8s,10as,10br,12ar)-8-but-3-enyl-1,1,4a,10a,10b-pentamethyl-8-(oxidomethyl)-7-vinyl-3,4,4b,5,7,9,10,11,12,12a-decahydro-2h-chrysen-2-olate; methanone
Molecular Mass 470.727 g·mol−1
Heat of Formation -859.3 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 611.71 Å 3
Surface Area 438.5 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 4.33 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid methyl ester
  • 10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2h-picene-4a-carboxylic acid methyl ester
  • 3beta-hydroxy-urs-12-en-28-oic acid methyl ester
  • megxp0_001727
  • methyl (1s,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylate
  • methyl (3beta)-3-hydroxyurs-12-en-28-oate
  • methyl 3beta-hydroxyurs-12-en-28-oate
  • urs-12-en-28-oic acid, 3-hydroxy-, methyl ester, (3beta)-
CAS Number(s)
  • 915-32-2
InChIKey YCBSMEKEDOHEQI-QHQGJMPNSA-N
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