Fr901464

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Properties Simple | Detailed

Formula C27H41NO8
IUPAC Name n-[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]pent-3-ynamide; methanone
Molecular Mass 507.616 g·mol−1
Heat of Formation -1381.3 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 645.94 Å 3
Surface Area 529.64 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,2s)-4-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]carbamoyl]but-3-en-2-yl] acetate
  • [(z,1s)-4-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]amino]-1-methyl-4-oxo-but-2-enyl] acetate
  • [(z,2s)-5-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-oxan-3-yl]amino]-5-oxo-pent-3-en-2-yl] ethanoate
  • [(z,2s)-5-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
  • acetic acid [(z,1s)-4-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methyl-penta-2,4-dienyl]-2,5-dimethyl-tetrahydropyran-3-yl]amino]-4-keto-1-methyl-but-2-enyl] ester
  • acetic acid [(z,1s)-4-[[(2r,3r,5s,6s)-6-[(2e,4e)-5-[(3r,4r,5r,7s)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyl-3-tetrahydropyranyl]amino]-1-methyl-4-oxobut-2-enyl] ester
InChIKey PJKVJJDQXZARCA-QHYZBLTGSA-N
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