bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxidanylidene-pent-3-enyl]-4-(3-methoxy-4-oxidanyl-phenyl)-1-methyl-cyclobutane-1,3-dicarboxylate

Systemtic Name: bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxidanylidene-pent-3-enyl]-4-(3-methoxy-4-oxidanyl-phenyl)-1-methyl-cyclobutane-1,3-dicarboxylate Openeye Name: bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxo-pent-3-enyl]-4-(4-hydroxy-3-methoxy-phenyl)-1-methyl-cyclobutane-1,3-dicarboxylate CAS Name: (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylic acid bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] ester IUPAC Name: bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl] (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]oxy]-3-methyl-5-oxopent-3-enyl]-4-(4-hydroxy-3-methoxyphenyl)-1-methylcyclobutane-1,3-dicarboxylate Traditional Name: (1S,2S,3S,4R)-2-[(E)-5-[[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydro-2-pyrindin-6-yl]oxy]-5-keto-3-methyl-pent-3-enyl]-4-(4-hydroxy-3-methoxy-phenyl)-1-methyl-cyclobutane-1,3-dicarboxylic acid bis[(4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydro-2-pyrindin-6-yl] ester Formula: C53H81N3O8 MolecularWeight: 888.22554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2C1CC(C2C)OC(=O)C=C(C)CCC3C(C(C3(C)C(=O)OC4CC5C(CN(CC5C4C)C)C)C6=CC(=C(C=C6)O)OC)C(=O)OC7CC8C(CN(CC8C7C)C)C)C

Isomeric SMILES

C[C@H]1CN(C[C@@H]2[C@H]1C[C@H]([C@H]2C)OC(=O)/C=C(\C)/CC[C@H]3[C@@H]([C@@H]([C@@]3(C)C(=O)O[C@@H]4C[C@H]5[C@H](CN(C[C@H]5[C@@H]4C)C)C)C6=CC(=C(C=C6)O)OC)C(=O)O[C@@H]7C[C@H]8[C@H](CN(C[C@H]8[C@@H]7C)C)C)C

InChI

InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,49-,50-,53-/m0/s1