(1S,3R,5E,7E,22E,24S)-26,27-Cyclo-9,10-Secocholesta-5,7,10,22-Tetraene-1,3,24-Triol

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Properties Simple | Detailed

Formula C27H40O3
IUPAC Name (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 412.605 g·mol−1
Heat of Formation -466.0 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 558.1 Å 3
Surface Area 460.67 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-4-cyclopropyl-4-hydroxy-1-methylbut-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,2r,5s)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey LWQQLNNNIPYSNX-GMGGYIQASA-N
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