[(3aS,4R,5S,6S,7R,7aS)-6,7-diacetyloxy-5-[[(E)-2-methyl-3-[4-oxidanyl-3-[(E)-prop-1-enoxy]phenyl]prop-2-enoyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ethanoate

Systemtic Name: [(3aS,4R,5S,6S,7R,7aS)-6,7-diacetyloxy-5-[[(E)-2-methyl-3-[4-oxidanyl-3-[(E)-prop-1-enoxy]phenyl]prop-2-enoyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ethanoate Openeye Name: [(3aS,4R,5S,6S,7R,7aS)-6,7-diacetoxy-5-[[(E)-3-[4-hydroxy-3-[(E)-prop-1-enoxy]phenyl]-2-methyl-prop-2-enoyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] acetate CAS Name: acetic acid [(3aS,4R,5S,6S,7R,7aS)-6,7-diacetyloxy-5-[[(E)-3-[4-hydroxy-3-[(E)-prop-1-enoxy]phenyl]-2-methyl-1-oxoprop-2-enyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester IUPAC Name: [(3aS,4R,5S,6S,7R,7aS)-6,7-diacetyloxy-5-[[(E)-3-[4-hydroxy-3-[(E)-prop-1-enoxy]phenyl]-2-methylprop-2-enoyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] acetate Traditional Name: acetic acid [(3aS,4R,5S,6S,7R,7aS)-6,7-diacetoxy-5-[[(E)-3-[4-hydroxy-3-[(E)-prop-1-enoxy]phenyl]-2-methyl-acryloyl]amino]-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl] ester Formula: C26H31NO11 MolecularWeight: 533.52444

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC1=C(C=CC(=C1)C=C(C)C(=O)NC2C(C3C(C(C2OC(=O)C)OC(=O)C)OCO3)OC(=O)C)O

Isomeric SMILES

C/C=C/OC1=C(C=CC(=C1)/C=C(\C)/C(=O)N[C@H]2[C@H]([C@H]3[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OCO3)OC(=O)C)O

InChI

InChI=1S/C26H31NO11/c1-6-9-33-19-11-17(7-8-18(19)31)10-13(2)26(32)27-20-21(36-14(3)28)23-24(35-12-34-23)25(38-16(5)30)22(20)37-15(4)29/h6-11,20-25,31H,12H2,1-5H3,(H,27,32)/b9-6+,13-10+/t20-,21+,22-,23-,24-,25+/m0/s1