[(1Z,3Z,5R,7R,8R,9E)-10-[(2S,3S)-3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-1-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]-7,8-bis(oxidanyl)-8-[2-(prop-2-enoxycarbonylamino)ethyl]deca-1,3,9-trien-5-yl] 2-phenoxyethanoate

Systemtic Name: [(1Z,3Z,5R,7R,8R,9E)-10-[(2S,3S)-3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-1-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]-7,8-bis(oxidanyl)-8-[2-(prop-2-enoxycarbonylamino)ethyl]deca-1,3,9-trien-5-yl] 2-phenoxyethanoate Openeye Name: [(E,1R,3R,4R)-4-[2-(allyloxycarbonylamino)ethyl]-6-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,4-dihydroxy-1-[(1Z,3Z)-4-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]buta-1,3-dienyl]hex-5-enyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [(1Z,3Z,5R,7R,8R,9E)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-7,8-dihydroxy-1-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]-8-[2-[[oxo(prop-2-enoxy)methyl]amino]ethyl]deca-1,3,9-trien-5-yl] ester IUPAC Name: [(1Z,3Z,5R,7R,8R,9E)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-7,8-dihydroxy-1-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]-8-[2-(prop-2-enoxycarbonylamino)ethyl]deca-1,3,9-trien-5-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [(1R,2Z,4Z)-1-[(E,2R,3R)-3-[2-(allyloxycarbonylamino)ethyl]-5-[(2S,3S)-3-ethyl-6-keto-2,3-dihydropyran-2-yl]-2,3-dihydroxy-pent-4-enyl]-5-[(1R,3S)-3-[(4-methoxyphenoxy)methoxy]cyclohexyl]penta-2,4-dienyl] ester Formula: C45H57NO12 MolecularWeight: 803.93358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CC(=O)OC1C=CC(CCNC(=O)OCC=C)(C(CC(C=CC=CC2CCCC(C2)OCOC3=CC=C(C=C3)OC)OC(=O)COC4=CC=CC=C4)O)O

Isomeric SMILES

CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](CCNC(=O)OCC=C)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)OCOC3=CC=C(C=C3)OC)OC(=O)COC4=CC=CC=C4)O)O

InChI

InChI=1S/C45H57NO12/c1-4-28-53-44(50)46-27-26-45(51,25-24-40-34(5-2)18-23-42(48)58-40)41(47)30-39(57-43(49)31-54-36-14-7-6-8-15-36)16-10-9-12-33-13-11-17-38(29-33)56-32-55-37-21-19-35(52-3)20-22-37/h4,6-10,12,14-16,18-25,33-34,38-41,47,51H,1,5,11,13,17,26-32H2,2-3H3,(H,46,50)/b12-9-,16-10-,25-24+/t33-,34+,38+,39+,40+,41-,45+/m1/s1