(3S,4R,4aS,6R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-7-[2-[(3S)-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]ethyl]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one

Systemtic Name: (3S,4R,4aS,6R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-7-[2-[(3S)-3-oxidanyl-2-oxidanylidene-1H-indol-3-yl]ethyl]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one Openeye Name: (3S,4R,4aS,6R)-7-[2-[(3S)-3-hydroxy-2-oxo-indolin-3-yl]ethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one CAS Name: (3S,4R,4aS,6R)-4-ethenyl-7-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-6-methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one IUPAC Name: (3S,4R,4aS,6R)-4-ethenyl-7-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one Traditional Name: (3S,4R,4aS,6R)-7-[2-[(3S)-3-hydroxy-2-keto-indolin-3-yl]ethyl]-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one Formula: C27H34N2O11 MolecularWeight: 562.56566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC2C(C(OC=C2C(=O)N1CCC3(C4=CC=CC=C4NC3=O)O)OC5C(C(C(C(O5)CO)O)O)O)C=C

Isomeric SMILES

CO[C@@H]1C[C@H]2[C@H]([C@@H](OC=C2C(=O)N1CC[C@@]3(C4=CC=CC=C4NC3=O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C

InChI

InChI=1S/C27H34N2O11/c1-3-13-14-10-19(37-2)29(9-8-27(36)16-6-4-5-7-17(16)28-26(27)35)23(34)15(14)12-38-24(13)40-25-22(33)21(32)20(31)18(11-30)39-25/h3-7,12-14,18-22,24-25,30-33,36H,1,8-11H2,2H3,(H,28,35)/t13-,14+,18-,19-,20-,21+,22-,24+,25+,27+/m1/s1