Bistramide A

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Formula C40H68N2O8
IUPAC Name (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[(2s,3s,6r)-3-methyl-6-[(e)-2-oxopent-3-enyl]tetrahydropyran-2-yl]acetyl]amino]butanamide
Molecular Mass 704.977 g·mol−1
Heat of Formation -1984.3 ± 16.7 kJ·mol−1
Dipole Moment 12.88 ± 1.08 D
Volume 930.95 Å 3
Surface Area 624.45 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[2-[(2s,3s,6r)-3-methyl-6-[(e)-2-oxopent-3-enyl]oxan-2-yl]ethanoylamino]butanamide
  • (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[(2s,3s,6r)-3-methyl-6-[(e)-2-oxopent-3-enyl]tetrahydropyran-2-yl]acetyl]amino]butanamide
  • (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-4-[[2-[(2s,3s,6r)-6-[(e)-2-ketopent-3-enyl]-3-methyl-tetrahydropyran-2-yl]acetyl]amino]-2-methyl-butyramide
  • (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[(2s,3s,6r)-3-methyl-6-[(e)-2-oxopent-3-enyl]-2-tetrahydropyranyl]-1-oxoethyl]amino]butanamide
  • (2s,3r)-3-hydroxy-n-[3-[(2r,3s,6s,8s)-8-[(e,3s,6s)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[(2s,3s,6r)-3-methyl-6-[(e)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanamide
  • bid
InChIKey HXZRMADPDYFMEB-CPBPHPDTSA-N
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