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

Systemtic Name: (1R,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-[butan-2-yl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-dioxabicyclo[10.2.1]pentadecan-7-one Openeye Name: (1R,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-5-ethyl-3,4-dihydroxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(sec-butyl)amino]tetrahydropyran-2-yl]oxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadecan-7-one CAS Name: (1R,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[[(2S,3R,4S,6R)-4-[butan-2-yl(methyl)amino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-3,4-dihydroxy-9-[[(2S,4S,6S)-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadecan-7-one IUPAC Name: (1R,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-[butan-2-yl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadecan-7-one Traditional Name: (1R,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-5-ethyl-3,4-dihydroxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(sec-butyl)amino]tetrahydropyran-2-yl]oxy-9-[(2S,4S,6S)-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadecan-7-one Formula: C40H73NO11 MolecularWeight: 744.00772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C2C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(CC(O3)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)CC)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C[C@@H](O3)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)CC)O)C)C)C)O)(C)O

InChI

InChI=1S/C40H73NO11/c1-15-22(4)41(13)28-17-23(5)48-37(31(28)42)51-35-26(8)33(50-30-20-38(10,46-14)19-24(6)47-30)27(9)36(44)49-29(16-2)40(12,45)34(43)25(7)32-21(3)18-39(35,11)52-32/h21-35,37,42-43,45H,15-20H2,1-14H3/t21-,22?,23-,24+,25+,26+,27-,28+,29-,30+,31-,32-,33+,34-,35-,37+,38+,39-,40-/m1/s1