sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-8-methoxy-4-[[(2S)-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyl-oxan-2-yl]-2-oxidanyl-ethanoyl]amino]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-dec-4-enoate

Systemtic Name: sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-8-methoxy-4-[[(2S)-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyl-oxan-2-yl]-2-oxidanyl-ethanoyl]amino]-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-dec-4-enoate Openeye Name: sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyl-tetrahydropyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-dec-4-enoate CAS Name: sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyl-2-oxanyl]-1-oxoethyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-4-decenoate IUPAC Name: sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyloxan-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxydec-4-enoate Traditional Name: sodium (E,9R)-10-[(4R,4aS,6R,8S,8aR)-4-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-4,5,6-trimethyl-tetrahydropyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-yl]-9-methoxy-dec-4-enoate Formula: C32H54NNaO11 MolecularWeight: 651.76103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(OC(C1C)C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CCCC=CCCC(=O)[O-])OC)(C)C)OC)OCO2)O)OC.[Na+]

Isomeric SMILES

C[C@H]1[C@H](O[C@](CC1C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@H](C([C@H](O3)C[C@@H](CCC/C=C/CCC(=O)[O-])OC)(C)C)OC)OCO2)O)OC)C.[Na+]

InChI

InChI=1S/C32H55NO11.Na/c1-19-17-32(40-8,44-21(3)20(19)2)27(36)29(37)33-30-26-25(41-18-42-30)28(39-7)31(4,5)23(43-26)16-22(38-6)14-12-10-9-11-13-15-24(34)35;/h9,11,19-23,25-28,30,36H,10,12-18H2,1-8H3,(H,33,37)(H,34,35);/q;+1/p-1/b11-9+;/t19?,20-,21-,22-,23-,25+,26+,27-,28-,30-,32-;/m1./s1