(phenylmethyl) 1-[2-[(2R,3R)-6-[(2R,3E,5E,7Z,9S,11S)-2,13-dimethoxy-3,9,11-trimethyl-12-oxidanylidene-cyclotrideca-3,5,7-trien-1-yl]-4-methyl-3-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-[(2R,3R)-6-[(2R,3E,5E,7Z,9S,11S)-2,13-dimethoxy-3,9,11-trimethyl-12-oxidanylidene-cyclotrideca-3,5,7-trien-1-yl]-4-methyl-3-oxidanyl-oxan-2-yl]-2-oxidanylidene-ethanoyl]piperidine-2-carboxylate Openeye Name: benzyl 1-[2-[(2R,3R)-6-[(2R,3E,5E,7Z,9S,11S)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-cyclotrideca-3,5,7-trien-1-yl]-3-hydroxy-4-methyl-tetrahydropyran-2-yl]-2-oxo-acetyl]piperidine-2-carboxylate CAS Name: 1-[2-[(2R,3R)-6-[(2R,3E,5E,7Z,9S,11S)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-1-cyclotrideca-3,5,7-trienyl]-3-hydroxy-4-methyl-2-oxanyl]-1,2-dioxoethyl]-2-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-[(2R,3R)-6-[(2R,3E,5E,7Z,9S,11S)-2,13-dimethoxy-3,9,11-trimethyl-12-oxocyclotrideca-3,5,7-trien-1-yl]-3-hydroxy-4-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate Traditional Name: 1-[2-[(2R,3R)-3-hydroxy-6-[(2R,3E,5E,7Z,9S,11S)-12-keto-2,13-dimethoxy-3,9,11-trimethyl-cyclotrideca-3,5,7-trien-1-yl]-4-methyl-tetrahydropyran-2-yl]-2-keto-acetyl]pipecolinic acid benzyl ester Formula: C39H53NO9 MolecularWeight: 679.83942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C(C(C(=CC=CC=C1)C)OC)C2CC(C(C(O2)C(=O)C(=O)N3CCCCC3C(=O)OCC4=CC=CC=C4)O)C)OC)C

Isomeric SMILES

C[C@H]/1C[C@@H](C(=O)C(C([C@H](/C(=C/C=C/C=C1)/C)OC)C2CC([C@H]([C@@H](O2)C(=O)C(=O)N3CCCCC3C(=O)OCC4=CC=CC=C4)O)C)OC)C

InChI

InChI=1S/C39H53NO9/c1-24-15-9-7-10-16-25(2)35(46-5)31(36(47-6)32(41)26(3)21-24)30-22-27(4)33(42)37(49-30)34(43)38(44)40-20-14-13-19-29(40)39(45)48-23-28-17-11-8-12-18-28/h7-12,15-18,24,26-27,29-31,33,35-37,42H,13-14,19-23H2,1-6H3/b10-7+,15-9-,25-16+/t24-,26+,27?,29?,30?,31?,33-,35+,36?,37-/m1/s1