[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxy-oxan-2-yl]methyl 2,2-dimethyl-8-(3-methylbut-2-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxy-oxan-2-yl]methyl 2,2-dimethyl-8-(3-methylbut-2-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl 3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromane-6-carboxylate CAS Name: 3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)-2-oxolanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromene-6-carboxylate Traditional Name: 3-hydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chroman-6-carboxylic acid [(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-[(2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C43H56O21 MolecularWeight: 908.89214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C(=O)OCC3C(C(C(C(O3)OC4(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

Isomeric SMILES

CC(=CCC1=CC(=CC2=C1OC(C(C2)O)(C)C)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C43H56O21/c1-20(2)12-13-28-14-30(15-29-16-33(51)42(10,11)63-34(28)29)40(52)54-17-31-35(56-23(5)46)37(58-25(7)48)38(59-26(8)49)41(61-31)64-43(19-55-22(4)45)39(60-27(9)50)36(57-24(6)47)32(62-43)18-53-21(3)44/h12,14-15,31-33,35-39,41,51H,13,16-19H2,1-11H3/t31-,32-,33?,35-,36-,37+,38-,39+,41-,43+/m1/s1