(2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[(2R,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one

Systemtic Name: (2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[(2R,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one Openeye Name: (2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one CAS Name: (2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-11-[[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-3,4-dihydroxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one IUPAC Name: (2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one Traditional Name: (2S,3R,4S,5R,8R,9S,10S,11R,12R)-9-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-5-(1-hydroxyethyl)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one Formula: C37H65NO13 MolecularWeight: 731.9109

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C1CC(OC(C1O)OC2C(C(C(C(=O)OC(C(C(C(C3=C(CC2(O3)C)C)C)O)(C)O)C(C)O)C)OC4CC(C(C(O4)C)O)(C)O)C)C

Isomeric SMILES

CCN(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H](C3=C(C[C@]2(O3)C)C)C)O)(C)O)C(C)O)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)O)C)C

InChI

InChI=1S/C37H65NO13/c1-13-38(12)24-14-18(3)46-34(26(24)40)50-31-20(5)28(48-25-16-35(9,44)30(42)23(8)47-25)21(6)33(43)49-32(22(7)39)37(11,45)29(41)19(4)27-17(2)15-36(31,10)51-27/h18-26,28-32,34,39-42,44-45H,13-16H2,1-12H3/t18-,19-,20+,21-,22?,23+,24+,25+,26-,28+,29-,30+,31-,32-,34+,35-,36-,37+/m1/s1