tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-[[(4R,6S)-4,6-dimethyloctyl]carbamoyloxy]-7-(2-methoxypropan-2-yloxy)-4-oxidanyl-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Systemtic Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenyl-hexyl)-6-[[(4R,6S)-4,6-dimethyloctyl]carbamoyloxy]-7-(2-methoxypropan-2-yloxy)-4-oxidanyl-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Openeye Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-[[(4R,6S)-4,6-dimethyloctyl]carbamoyloxy]-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate CAS Name: (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylene-6-phenylhexyl)-6-[[[(4R,6S)-4,6-dimethyloctyl]amino]-oxomethoxy]-4-hydroxy-7-(2-methoxypropan-2-yloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (1R,3S,4S,5S,6R,7R)-1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-[[(4R,6S)-4,6-dimethyloctyl]carbamoyloxy]-4-hydroxy-7-(2-methoxypropan-2-yloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate Traditional Name: (1R,3S,4S,5S,6R,7R)-1-[3-(1-acetoxy-2-methyl-3-phenyl-propyl)but-3-enyl]-6-[[(4R,6S)-4,6-dimethyloctyl]carbamoyloxy]-4-hydroxy-7-(1-methoxy-1-methyl-ethoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid tritert-butyl ester Formula: C52H83NO15 MolecularWeight: 962.21312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)CCCNC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

Isomeric SMILES

CC[C@H](C)C[C@H](C)CCCNC(=O)O[C@@H]1[C@H]([C@@]2(O[C@@H]([C@]([C@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

InChI

InChI=1S/C52H83NO15/c1-19-32(2)30-33(3)24-23-29-53-45(58)62-40-39(63-49(16,17)60-18)50(28-27-34(4)38(61-36(6)54)35(5)31-37-25-21-20-22-26-37)64-41(42(55)65-46(7,8)9)51(59,43(56)66-47(10,11)12)52(40,68-50)44(57)67-48(13,14)15/h20-22,25-26,32-33,35,38-41,59H,4,19,23-24,27-31H2,1-3,5-18H3,(H,53,58)/t32-,33+,35?,38?,39+,40+,41+,50+,51+,52+/m0/s1