Ilekudinol B

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Properties Simple | Detailed

Formula C29H44O4
IUPAC Name (1r,2r,4ar,4bs,6as,9r,10s,10as,12ar)-2-(1-formylvinyl)-1,4a,4b,9,10-pentamethyl-1-(2-oxoethyl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysene-6a-carboxylate
Molecular Mass 456.657 g·mol−1
Heat of Formation -949.2 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 574.99 Å 3
Surface Area 416.53 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6as,6ar,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
  • (1s,2r,4as,6as,6ar,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-1,2,6a,6b,12a-pentamethyl-9-methylidene-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
InChIKey RDOIACMZJPLQIZ-FNVOJQHCSA-N
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