methyl (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Systemtic Name: methyl (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-6-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C26H32O12 MolecularWeight: 536.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)O

InChI

InChI=1S/C26H32O12/c1-12-17(28)9-15-16(24(33)34-2)10-36-25(20(12)15)38-26-23(32)22(31)21(30)18(37-26)11-35-19(29)8-5-13-3-6-14(27)7-4-13/h3-8,10,12,15,17-18,20-23,25-28,30-32H,9,11H2,1-2H3/b8-5+/t12-,15+,17-,18+,20+,21+,22-,23+,25-,26-/m0/s1