(phenylmethyl) N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-3-prop-2-enoxyimino-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-3-prop-2-enoxyimino-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-6-methyl-3-oxidanyl-oxan-4-yl]-N-methyl-carbamate Openeye Name: benzyl N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-3-allyloxyimino-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-N-methyl-carbamate CAS Name: N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-3-prop-2-enoxyimino-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-3-hydroxy-6-methyl-4-oxanyl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-3-prop-2-enoxyimino-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-N-methylcarbamate Traditional Name: N-[(2S,3R,4S,6R)-2-[[(1R,2S,3E,4R,6S,7R,8R,10R,13R,14R)-3-allyloximino-13-ethyl-9,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-7-yl]oxy]-3-hydroxy-6-methyl-tetrahydropyran-4-yl]-N-methyl-carbamic acid benzyl ester Formula: C41H60N2O13 MolecularWeight: 788.9207

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NOCC=C)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C(=O)OCC4=CC=CC=C4)O)(C)OC)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OCC=C)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C(=O)OCC4=CC=CC=C4)O)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C41H60N2O13/c1-12-19-51-42-31-23(3)21-40(8,49-11)34(26(6)32(44)27(7)36(46)53-30(13-2)41(9)35(25(31)5)55-39(48)56-41)54-37-33(45)29(20-24(4)52-37)43(10)38(47)50-22-28-17-15-14-16-18-28/h12,14-18,23-27,29-30,33-35,37,45H,1,13,19-22H2,2-11H3/b42-31+/t23-,24-,25+,26+,27-,29+,30-,33-,34-,35-,37+,40+,41-/m1/s1