2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-(hydroxymethyl)-2,4,6,8,14-pentamethyl-10-oxidanyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]ethanal

Systemtic Name: 2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-(hydroxymethyl)-2,4,6,8,14-pentamethyl-10-oxidanyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]ethanal Openeye Name: 2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-hydroxy-10-(hydroxymethyl)-2,4,6,8,14-pentamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]acetaldehyde CAS Name: 2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-hydroxy-10-(hydroxymethyl)-2,4,6,8,14-pentamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]acetaldehyde IUPAC Name: 2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-hydroxy-10-(hydroxymethyl)-2,4,6,8,14-pentamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]acetaldehyde Traditional Name: 2-[[(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-hydroxy-3,9,11,16-tetraketo-2,4,6,8,14-pentamethyl-10-methylol-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-5-yl]oxy]acetaldehyde Formula: C32H52N2O13 MolecularWeight: 672.76088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(C(C(C(C(C(=O)C(C(=O)O1)(CO)O)C)OC3C(C(CC(O3)C)N(C)C)O)C)OCC=O)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2(C([C@@H](C(=O)[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)C(C(=O)O1)(CO)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)OCC=O)C)C)NC(=O)O2)C

InChI

InChI=1S/C32H52N2O13/c1-10-21-31(7)26(33-30(41)47-31)17(4)22(37)16(3)24(43-12-11-35)18(5)25(19(6)27(39)32(42,14-36)29(40)45-21)46-28-23(38)20(34(8)9)13-15(2)44-28/h11,15-21,23-26,28,36,38,42H,10,12-14H2,1-9H3,(H,33,41)/t15-,16+,17-,18-,19-,20+,21+,23-,24+,25+,26?,28+,31-,32?/m1/s1