6-{(1R,3Ar,4E,7Ar)-4-[(2E)-2-(2,2-Dimethyl-6-Methylene-1,3-Dioxepan-5-Ylidene)Ethylidene]-1,7A-Dimethyloctahydro-1H-Inden-1-Yl}-2-Methyl-2-Hexanol

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Properties Simple | Detailed

Formula C28H46O3
IUPAC Name 6-[(1r,3ar,4e,7ar)-4-[(2e)-2-(2,2-dimethyl-6-methylene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methyl-hexan-2-ol
Molecular Mass 430.663 g·mol−1
Heat of Formation -730.5 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 589.3 Å 3
Surface Area 480.94 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indene-1-pentanol, 4-(2-(2,2-dimethyl-6-methylene-1,3-dioxepan-5-ylidene)ethylidene)octahydro-alpha,alpha,epsilon,7a-tetramethyl-, (1r-(1alpha(r*),3abeta,4e(z),7aalpha))-
  • 6-[(1r,3ar,4e,7ar)-4-[(2e)-2-(2,2-dimethyl-6-methylene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methyl-hexan-2-ol
  • 6-[(1r,3ar,4e,7ar)-4-[(2e)-2-(2,2-dimethyl-6-methylene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methylhexan-2-ol
  • 6-[(1r,3ar,4e,7ar)-4-[(2e)-2-(2,2-dimethyl-6-methylidene-1,3-dioxepan-5-ylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydroinden-1-yl]-2-methyl-hexan-2-ol
  • a-homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-hydroxyvitamin d3
  • a-homo-3-deoxy-3,3-dimethyl-2,4-dioxa-25-oh-d3
  • hddd-25-oh-d3
CAS Number(s)
  • 135821-90-8
InChIKey OGBOEJJEWXJYPB-OWFFPJJDSA-N
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