(5Z,7E)-9,10-Secocholesta-5,7,10-Trien-25-Ol

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(2-methylenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptan-2-ol
Molecular Mass 384.638 g·mol−1
Heat of Formation -391.8 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 543.09 Å 3
Surface Area 443.65 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (6r)-6-[(1r,3as,4e,7ar)-7a-methyl-4-[(2z)-2-(2-methylenecyclohexylidene)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-(2-methylenecyclohexylidene)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-(2-methylidenecyclohexylidene)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-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methylheptan-2-ol
InChIKey AGECEAALPZMKEA-JRQXVFDWSA-N
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