(3R,5Z,7E)-24-(Dimethylamino)-9,10-Secochola-5,7,10-Trien-3-Ol

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Properties Simple | Detailed

Formula C26H43NO
IUPAC Name (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-4-(dimethylamino)-1-methyl-butyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol
Molecular Mass 385.626 g·mol−1
Heat of Formation -291.4 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 542.75 Å 3
Surface Area 436.9 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-4-dimethylamino-1-methyl-butyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-4-dimethylamino-1-methylbutyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-1-cyclohexanol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-5-dimethylaminopentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexan-1-ol
  • (1r,3z)-3-[(2e)-2-[(1r,3as,7ar)-1-[(2r)-5-dimethylaminopentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
  • 25-azavitamin d3
  • 9,10-secochola-5,7,10(19)-trien-3-ol, 24-(dimethylamino)-, (3beta,5z,7e)-
CAS Number(s)
  • 63819-61-4
InChIKey ULNCGRJUZSDCCI-SHLFXTCDSA-N
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