Pristimerin

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Properties Simple | Detailed

Formula C30H40O4
IUPAC Name methyl (2r,4as,6ar,6as,14as,14br)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Molecular Mass 464.636 g·mol−1
Heat of Formation -696.0 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 574.11 Å 3
Surface Area 423.81 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4as,6as,6ar,14as,14br)-10-hydroxy-11-keto-2,4a,6a,6a,9,14a-hexamethyl-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester
  • (2r,4as,6as,6ar,14as,14br)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid methyl ester
  • acon0_000836
  • celastrol-methylether
  • d:a-friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)- (9ci)
  • megxp0_000269
  • methyl (2r,4as,6as,6ar,14as,14br)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
  • sdccgmls-0066814.p001
CAS Number(s)
  • 1258-84-0
InChIKey JFACETXYABVHFD-WXPPGMDDSA-N
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