2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-8-(5-acetyloxy-4-methoxy-6-methyl-oxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide

Systemtic Name: 2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-8-(5-acetyloxy-4-methoxy-6-methyl-oxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide Openeye Name: 2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetoxy-8-(5-acetoxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-3-hydroxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide CAS Name: 2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-8-[(5-acetyloxy-4-methoxy-6-methyl-2-oxanyl)oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-3-hydroxy-N,N,6-trimethyl-4-oxanamine oxide IUPAC Name: 2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetyloxy-8-(5-acetyloxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide Traditional Name: 2-[[(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-14-acetoxy-8-(5-acetoxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,16-diketo-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-3-hydroxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide Formula: C39H65NO15 MolecularWeight: 787.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)O)[N+](C)(C)[O-]

Isomeric SMILES

C[C@H]1C[C@@]2(CO2)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1OC3C(C(CC(O3)C)[N+](C)(C)[O-])O)C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C

InChI

InChI=1S/C39H65NO15/c1-18-16-39(17-48-39)36(44)22(5)33(52-26(9)41)20(3)24(7)51-37(45)23(6)34(54-30-15-29(47-13)35(25(8)50-30)53-27(10)42)21(4)32(18)55-38-31(43)28(40(11,12)46)14-19(2)49-38/h18-25,28-35,38,43H,14-17H2,1-13H3/t18-,19?,20-,21+,22+,23+,24+,25?,28?,29?,30?,31?,32-,33-,34-,35?,38?,39+/m0/s1