(6R)-2-Methyl-6-{(1R,3As,4E,7Ar)-7A-Methyl-4-[(2Z)-2-(3-Methylenetetrahydro-4H-Pyran-4-Ylidene)Ethylidene]Octahydro-1H-Inden-1-Yl}-2-Heptanol

Molecule SVG Image

Properties Simple | Detailed

Formula C26H42O2
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(3-methylenetetrahydropyran-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
Molecular Mass 386.610 g·mol−1
Heat of Formation -506.0 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 535.7 Å 3
Surface Area 434.02 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (5z,7e)-2-oxa-9,10-seco-5,7,10(19)-cholestatrien-25-ol
  • (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(3-methylene-4-tetrahydropyranylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(3-methylenetetrahydropyran-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(3-methylideneoxan-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
  • (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(3-methylideneoxan-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
  • 2-oxa-3-deoxy-25-hydroxyvitamin d3
  • 2-oxa-3-deoxy-25-oh-d3
  • 25-hydroxy-3-deoxy-2-oxavitamin d3 / 25-hydroxy-3-deoxy-2-oxacholecalciferol
CAS Number(s)
  • 113490-39-4
InChIKey CCFSYRQFWNVGDG-SDPFTLJPSA-N
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