(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(2S,3R,4S,5R,6R)-6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-8-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-14-oxidanyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione

Systemtic Name: (3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(2S,3R,4S,5R,6R)-6-(methoxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-8-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-14-oxidanyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione Openeye Name: (3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione CAS Name: (3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-14-hydroxy-8-[[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione IUPAC Name: (3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-dione Traditional Name: (3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecane-10,16-quinone Formula: C42H73NO17 MolecularWeight: 864.02552

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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)O)OC)C)C)C)O)C)C)OC5C(C(C(C(O5)COC)O)O)O)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC)O)O)O)N(C)C

InChI

InChI=1S/C42H73NO17/c1-18-15-42(17-53-42)38(49)21(4)30(44)20(3)24(7)56-39(50)23(6)36(58-29-14-27(52-12)31(45)25(8)55-29)22(5)35(18)59-41-37(26(43(9)10)13-19(2)54-41)60-40-34(48)33(47)32(46)28(57-40)16-51-11/h18-37,40-41,44-48H,13-17H2,1-12H3/t18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28+,29-,30-,31-,32-,33-,34+,35-,36-,37+,40-,41-,42-/m0/s1