methyl (3S,4S,6R)-3-[[(6S,8R,8aR)-7-acetamido-8-[(2R,4R,5S)-5-[ditert-butyl(methyl)silyl]oxy-6-methoxycarbonyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(6R,8R,8aR)-7-acetamido-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylcarbonyloxy)oxane-2-carboxylate

Systemtic Name: methyl (3S,4S,6R)-3-[[(6S,8R,8aR)-7-acetamido-8-[(2R,4R,5S)-5-[ditert-butyl(methyl)silyl]oxy-6-methoxycarbonyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(6R,8R,8aR)-7-acetamido-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-bis(phenylcarbonyloxy)oxane-2-carboxylate Openeye Name: methyl (3S,4S,6R)-6-[[(6R,8R,8aR)-7-acetamido-6-allyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-[[(6S,8R,8aR)-7-acetamido-8-[(2R,4R,5S)-3,4-dibenzoyloxy-5-[ditert-butyl(methyl)silyl]oxy-6-methoxycarbonyl-tetrahydropyran-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-tetrahydropyran-2-carboxylate CAS Name: (3S,4S,6R)-3-[[(6S,8R,8aR)-7-acetamido-8-[[(2R,4R,5S)-3,4-dibenzoyloxy-5-[ditert-butyl(methyl)silyl]oxy-6-methoxycarbonyl-2-oxanyl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(6R,8R,8aR)-7-acetamido-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-dibenzoyloxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S,6R)-3-[[(6S,8R,8aR)-7-acetamido-8-[(2R,4R,5S)-3,4-dibenzoyloxy-5-[ditert-butyl(methyl)silyl]oxy-6-methoxycarbonyloxan-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-[[(6R,8R,8aR)-7-acetamido-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4,5-dibenzoyloxyoxane-2-carboxylate Traditional Name: (3S,4S,6R)-6-[[(6R,8R,8aR)-7-acetamido-6-allyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-[[(6S,8R,8aR)-7-acetamido-8-[(2R,4R,5S)-3,4-dibenzoyloxy-6-carbomethoxy-5-[ditert-butyl(methyl)silyl]oxy-tetrahydropyran-2-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-dibenzoyloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C84H96N2O27Si MolecularWeight: 1593.74374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC=C)OC4C(C(C(C(O4)C(=O)OC)OC5C(C(C6C(O5)COC(O6)C7=CC=CC=C7)OC8C(C(C(C(O8)C(=O)OC)O[Si](C)(C(C)(C)C)C(C)(C)C)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)NC(=O)C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)NC1[C@H]([C@@H]2C(COC(O2)C3=CC=CC=C3)O[C@H]1OCC=C)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)OC)O[C@H]5C([C@H]([C@@H]6C(O5)COC(O6)C7=CC=CC=C7)O[C@H]8C([C@H]([C@@H](C(O8)C(=O)OC)O[Si](C)(C(C)(C)C)C(C)(C)C)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)NC(=O)C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C84H96N2O27Si/c1-13-44-97-79-57(85-47(2)87)61(59-55(100-79)45-98-77(106-59)53-40-28-18-29-41-53)108-81-69(104-73(91)51-36-24-16-25-37-51)64(102-71(89)49-32-20-14-21-33-49)63(67(111-81)75(93)95-10)110-80-58(86-48(3)88)62(60-56(101-80)46-99-78(107-60)54-42-30-19-31-43-54)109-82-70(105-74(92)52-38-26-17-27-39-52)65(103-72(90)50-34-22-15-23-35-50)66(68(112-82)76(94)96-11)113-114(12,83(4,5)6)84(7,8)9/h13-43,55-70,77-82H,1,44-46H2,2-12H3,(H,85,87)(H,86,88)/t55?,56?,57?,58?,59-,60-,61+,62+,63-,64-,65-,66-,67?,68?,69?,70?,77?,78?,79+,80-,81+,82+/m0/s1