(3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-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: (3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)thian-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: (3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydrothiopyran-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: (3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-thianyl]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: (3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-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: (3R,5S,6S,7R,8S,9S,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydrothiopyran-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: C41H71NO16S MolecularWeight: 866.06454

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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(S5)CO)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](S5)CO)O)O)O)N(C)C

InChI

InChI=1S/C41H71NO16S/c1-17-14-41(16-52-41)37(49)20(4)29(44)19(3)23(7)55-38(50)22(6)35(56-28-13-26(51-11)30(45)24(8)54-28)21(5)34(17)57-39-36(25(42(9)10)12-18(2)53-39)58-40-33(48)32(47)31(46)27(15-43)59-40/h17-36,39-40,43-48H,12-16H2,1-11H3/t17-,18+,19-,20+,21+,22-,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34-,35-,36+,39-,40+,41+/m0/s1