methyl (1S,4aS,6S,7R,7aS)-6-[[(4R,4aS,7S,7aR)-7-methyl-1-oxidanylidene-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-yl]carbonyloxy]-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Systemtic Name: methyl (1S,4aS,6S,7R,7aS)-6-[[(4R,4aS,7S,7aR)-7-methyl-1-oxidanylidene-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-yl]carbonyloxy]-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,4aS,6S,7R,7aS)-6-[(4R,4aS,7S,7aR)-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1S,4aS,6S,7R,7aS)-6-[[(4R,4aS,7S,7aR)-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-yl]-oxomethoxy]-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-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-[(4R,4aS,7S,7aR)-7-methyl-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,4aS,6S,7R,7aS)-6-[(4R,4aS,7S,7aR)-1-keto-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-4-carbonyl]oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C27H38O13 MolecularWeight: 570.58282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C1C(=O)OCC2C(=O)OC3CC4C(C3C)C(OC=C4C(=O)OC)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

C[C@H]1CC[C@H]2[C@@H]1C(=O)OC[C@@H]2C(=O)O[C@H]3C[C@H]4[C@@H]([C@H]3C)[C@@H](OC=C4C(=O)OC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C27H38O13/c1-10-4-5-12-14(8-36-25(34)18(10)12)24(33)38-16-6-13-15(23(32)35-3)9-37-26(19(13)11(16)2)40-27-22(31)21(30)20(29)17(7-28)39-27/h9-14,16-22,26-31H,4-8H2,1-3H3/t10-,11-,12+,13+,14-,16-,17+,18+,19+,20+,21-,22+,26-,27-/m0/s1