(2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3S)-2,3-bis(oxidanyl)pentan-2-yl]-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-9-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one

Systemtic Name: (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3S)-2,3-bis(oxidanyl)pentan-2-yl]-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-9-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one Openeye Name: (2R,3R,6R,7S,8S,9R,10R)-3-[(1R,2S)-1,2-dihydroxy-1-methyl-butyl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one CAS Name: (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3S)-2,3-dihydroxypentan-2-yl]-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-9-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)-2-oxanyl]oxy]-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one IUPAC Name: (2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3S)-2,3-dihydroxypentan-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one Traditional Name: (2R,3R,6R,7S,8S,9R,10R)-3-[(1R,2S)-1,2-dihydroxy-1-methyl-butyl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-9-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one Formula: C36H63NO12 MolecularWeight: 701.88492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C1C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)NC)O)C)C)C)O)O

Isomeric SMILES

CC[C@@H]([C@](C)([C@H]1[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)NC)O)C)C)C)O)O

InChI

InChI=1S/C36H63NO12/c1-13-24(38)36(10,42)31-19(4)27-17(2)15-35(9,49-27)30(48-33-26(39)23(37-11)14-18(3)44-33)20(5)28(21(6)32(41)47-31)46-25-16-34(8,43-12)29(40)22(7)45-25/h18-26,28-31,33,37-40,42H,13-16H2,1-12H3/t18-,19+,20+,21-,22+,23+,24+,25+,26-,28+,29+,30-,31-,33+,34-,35-,36-/m1/s1