(E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(1R,3R,4R)-3-(1,3-benzodioxol-5-ylmethoxyiminomethyl)-4-oxidanyl-cyclopentyl]oxy-3-oxidanyl-phenyl]-2-methyl-prop-2-enamide

Systemtic Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(1R,3R,4R)-3-(1,3-benzodioxol-5-ylmethoxyiminomethyl)-4-oxidanyl-cyclopentyl]oxy-3-oxidanyl-phenyl]-2-methyl-prop-2-enamide Openeye Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(1R,3R,4R)-3-(1,3-benzodioxol-5-ylmethoxyiminomethyl)-4-hydroxy-cyclopentoxy]-3-hydroxy-phenyl]-2-methyl-prop-2-enamide CAS Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(1R,3R,4R)-3-(1,3-benzodioxol-5-ylmethoxyiminomethyl)-4-hydroxycyclopentyl]oxy-3-hydroxyphenyl]-2-methyl-2-propenamide IUPAC Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(1R,3R,4R)-3-(1,3-benzodioxol-5-ylmethoxyiminomethyl)-4-hydroxycyclopentyl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide Traditional Name: (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[3-hydroxy-4-[(1R,3R,4R)-3-hydroxy-4-(piperonyloximinomethyl)cyclopentoxy]phenyl]-2-methyl-acrylamide Formula: C31H36N2O12 MolecularWeight: 628.62374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2CC(C(C2)O)C=NOCC3=CC4=C(C=C3)OCO4)O)C(=O)NC5C(C(C6C(C5O)OCO6)O)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@@H]2C[C@@H]([C@@H](C2)O)C=NOCC3=CC4=C(C=C3)OCO4)O)/C(=O)N[C@@H]5[C@@H]([C@H]([C@@H]6[C@H]([C@@H]5O)OCO6)O)O

InChI

InChI=1S/C31H36N2O12/c1-15(31(39)33-25-26(36)28(38)30-29(27(25)37)42-14-43-30)6-16-2-4-22(21(35)7-16)45-19-9-18(20(34)10-19)11-32-44-12-17-3-5-23-24(8-17)41-13-40-23/h2-8,11,18-20,25-30,34-38H,9-10,12-14H2,1H3,(H,33,39)/b15-6+,32-11?/t18-,19-,20-,25-,26+,27-,28-,29+,30-/m1/s1