(1S,3R,5Z,7E,23S)-23-(2-Hydroxy-2-Methylpropyl)-20,24-Epoxy-9,10-Secochola-5,7,10-Triene-1,3-Diol

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Properties Simple | Detailed

Formula C28H44O4
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methyl-propyl)-2-methyl-tetrahydrofuran-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 444.647 g·mol−1
Heat of Formation -881.3 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 589.01 Å 3
Surface Area 459.95 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methyl-propyl)-2-methyl-oxolan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methyl-propyl)-2-methyl-tetrahydrofuran-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyl-2-tetrahydrofuranyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7as)-1-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyloxolan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey QFEREDUWILIRPI-VCQGKADLSA-N
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