(1S,3R,5Z,7Z,22E,25S)-9,10-Secocholesta-5,7,10,22-Tetraene-1,3,25,26-Tetrol

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Formula C27H42O4
IUPAC Name (1r,3s,5z)-5-[(2z)-2-[(1r,3as,7ar)-1-[(e,1r,5s)-5,6-dihydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
Molecular Mass 430.620 g·mol−1
Heat of Formation -821.5 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 572.05 Å 3
Surface Area 450.99 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s,5z)-5-[(2z)-2-[(1r,3as,7ar)-1-[(e,1r,5s)-5,6-dihydroxy-1,5-dimethyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2z)-2-[(1r,3as,7ar)-1-[(e,1r,5s)-5,6-dihydroxy-1,5-dimethylhex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
  • (1r,3s,5z)-5-[(2z)-2-[(1r,3as,7ar)-1-[(e,2r,6s)-6,7-dihydroxy-6-methyl-hept-3-en-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-[(2z)-2-[(1r,3as,7ar)-1-[(e,2r,6s)-6,7-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • 1,24,26-trihydroxy-delta 22-vitamin d3
  • 9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25,26-tetrol, (1alpha,3beta,5z,7e,22e,25s)-
  • ro 23-4319
  • ro-23-4319
CAS Number(s)
  • 101558-90-1
InChIKey JYHXCOMHKCOBKF-ZYMHPPEVSA-N
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