[3-[[(2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxidanyl-pent-4-en-2-yl] 6-(2,2-dimethoxyethyl)-5-[(2S,3R,4R,5R,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-methyl-3-oxidanylidene-8-[[(E)-pent-2-enoyl]amino]nonanoate

Systemtic Name: [3-[[(2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxidanyl-pent-4-en-2-yl] 6-(2,2-dimethoxyethyl)-5-[(2S,3R,4R,5R,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-methyl-3-oxidanylidene-8-[[(E)-pent-2-enoyl]amino]nonanoate Openeye Name: [2-[[(2S,3S,4S,5R,6S)-5-acetoxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-1-(hydroxymethyl)but-3-enyl] 6-(2,2-dimethoxyethyl)-5-[(2S,3R,4R,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methyl-3-oxo-8-[[(E)-pent-2-enoyl]amino]nonanoate CAS Name: 6-(2,2-dimethoxyethyl)-5-[[(2S,3R,4R,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-methyl-3-oxo-8-[[(E)-1-oxopent-2-enyl]amino]nonanoic acid [3-[[(2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-1-hydroxypent-4-en-2-yl] ester IUPAC Name: [3-[[(2S,3S,4S,5R,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-1-hydroxypent-4-en-2-yl] 6-(2,2-dimethoxyethyl)-5-[(2S,3R,4R,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methyl-3-oxo-8-[[(E)-pent-2-enoyl]amino]nonanoate Traditional Name: 6-(2,2-dimethoxyethyl)-5-[(2S,3R,4R,5R,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-keto-4-methyl-8-[[(E)-pent-2-enoyl]amino]pelargonic acid [2-[[(2S,3S,4S,5R,6S)-5-acetoxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-1-methylol-but-3-enyl] ester Formula: C43H74N2O17 MolecularWeight: 891.05086

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)NC(C)CC(CC(OC)OC)C(C(C)C(=O)CC(=O)OC(CO)C(COC1C(C(C(C(O1)C)OC(=O)C)OC)OC)C=C)OC2C(C(C(C(O2)C)O)N(C)C)O

Isomeric SMILES

CC/C=C/C(=O)NC(C)CC(CC(OC)OC)C(C(C)C(=O)CC(=O)OC(CO)C(CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)OC(=O)C)OC)OC)C=C)O[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)C)O)N(C)C)O

InChI

InChI=1S/C43H74N2O17/c1-14-16-17-32(49)44-23(3)18-29(19-34(53-10)54-11)38(62-42-37(52)35(45(8)9)36(51)25(5)58-42)24(4)30(48)20-33(50)61-31(21-46)28(15-2)22-57-43-41(56-13)40(55-12)39(26(6)59-43)60-27(7)47/h15-17,23-26,28-29,31,34-43,46,51-52H,2,14,18-22H2,1,3-13H3,(H,44,49)/b17-16+/t23?,24?,25-,26+,28?,29?,31?,35-,36+,37-,38?,39-,40+,41+,42-,43+/m1/s1