Celastrol

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Properties Simple | Detailed

Formula C29H38O4
IUPAC Name (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-carboxylic acid
Molecular Mass 450.610 g·mol−1
Heat of Formation -714.8 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 549.74 Å 3
Surface Area 408.01 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.13 ± 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
  • (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
  • 2-picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-
  • 3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid
  • celastrol, <i>celastrus scandens
  • d:a-friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)-
  • tripterin
  • tripterine
CAS Number(s)
  • 34157-83-0
InChIKey KQJSQWZMSAGSHN-JJWQIEBTSA-N
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