(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2R,6S)-6-Hydroxy-6-(1,3-Thiazol-2-Yl)-2-Hexanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C28H41NO3S
IUPAC Name (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-thiazol-2-yl-pentyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 471.695 g·mol−1
Heat of Formation -512.3 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 611.49 Å 3
Surface Area 494.34 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-(2-thiazolyl)pentyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,5s)-5-hydroxy-1-methyl-5-thiazol-2-yl-pentyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-hydroxy-6-(1,3-thiazol-2-yl)hexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,6s)-6-hydroxy-6-(1,3-thiazol-2-yl)hexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChIKey AZVJHDPZXYTKQV-IVTJTYBZSA-N
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