[(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4-(acetyloxymethyl)-7-methyl-4a,7-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4-(acetyloxymethyl)-7-methyl-4a,7-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetoxy-4-(acetoxymethyl)-4a,7-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4-(acetyloxymethyl)-4a,7-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4-(acetyloxymethyl)-4a,7-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-6-[[(1S,4aR,6S,7R,7aS)-6-acetoxy-4-(acetoxymethyl)-4a,7-dihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C28H38O17 MolecularWeight: 646.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(C(CC3(C(=CO2)COC(=O)C)O)OC(=O)C)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]3[C@@]([C@H](C[C@@]3(C(=CO2)COC(=O)C)O)OC(=O)C)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H38O17/c1-12(29)37-9-18-10-39-26(24-27(7,35)20(40-14(3)31)8-28(18,24)36)45-25-23(43-17(6)34)22(42-16(5)33)21(41-15(4)32)19(44-25)11-38-13(2)30/h10,19-26,35-36H,8-9,11H2,1-7H3/t19-,20+,21-,22+,23-,24-,25+,26+,27+,28+/m1/s1