(1R,3S,5Z)-5-{(2E)-2-[(1S,3As,7Ar)-1-(4-Hydroxy-4-Methylpentyl)-3A,7A-Dimethyloctahydro-4H-Inden-4-Ylidene]Ethylidene}-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C26H42O3
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7ar)-1-(4-hydroxy-4-methyl-pentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 402.610 g·mol−1
Heat of Formation -721.6 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 540.52 Å 3
Surface Area 441.07 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7ar)-1-(4-hydroxy-4-methyl-pentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7ar)-1-(4-hydroxy-4-methyl-pentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7ar)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1s,3as,7ar)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1,25-(oh)2-nord3
  • 1,25-dihydroxy-21-norvitamin d3
  • 21-nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5z,7e)-
CAS Number(s)
  • 141300-55-2
InChIKey CWCCPPGYDPQNEF-XMPYMTSYSA-N
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