(2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3S)-2,3-bis(oxidanyl)pentan-2-yl]-9-[(2S,3R,4S,6R)-4-(ethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-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]-9-[(2S,3R,4S,6R)-4-(ethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,6,8,10,12-pentamethyl-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]-9-[(2S,3R,4S,6R)-4-(ethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-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]-9-[[(2S,3R,4S,6R)-4-(ethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-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]-9-[(2S,3R,4S,6R)-4-(ethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-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]-9-[(2S,3R,4S,6R)-4-(ethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one Formula: C37H65NO12 MolecularWeight: 715.9115

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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)NCC)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)NCC)O)C)C)C)O)O

InChI

InChI=1S/C37H65NO12/c1-13-25(39)37(11,43)32-20(5)28-18(3)16-36(10,50-28)31(49-34-27(40)24(38-14-2)15-19(4)45-34)21(6)29(22(7)33(42)48-32)47-26-17-35(9,44-12)30(41)23(8)46-26/h19-27,29-32,34,38-41,43H,13-17H2,1-12H3/t19-,20+,21+,22-,23+,24+,25+,26+,27-,29+,30+,31-,32-,34+,35-,36-,37-/m1/s1