[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxycarbonyloxy-oxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-9,13-bis(oxidanylidene)-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxycarbonyloxy-oxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-9,13-bis(oxidanylidene)-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-7-[(2R,4R,5S,6S)-5-benzyloxycarbonyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-9,13-dioxo-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-11-ethyl-7-[[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxycarbonyloxy-2-oxanyl]oxy]-2,4,6,8,12,14-hexamethyl-9,13-dioxo-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxycarbonyloxyoxan-2-yl]oxy-2,4,6,8,12,14-hexamethyl-9,13-dioxo-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-2-[[(2R,4R,5S,6R,7R,8R,11S,12S)-7-[(2R,4R,5S,6S)-5-carbobenzoxyoxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-ethyl-9,13-diketo-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-5-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C47H71NO14 MolecularWeight: 874.06494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(=O)C(=C(O2)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)OCC4=CC=CC=C4)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)OC(=O)C)C)C)C)C

Isomeric SMILES

CC[C@H]1[C@]2(C(=O)C(=C(O2)[C@@H](C[C@H]([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)OCC4=CC=CC=C4)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)OC(=O)C)C)C)C)C

InChI

InChI=1S/C47H71NO14/c1-15-35-47(11)41(50)29(6)38(62-47)26(3)21-25(2)37(60-44-40(57-32(9)49)34(48(12)13)22-27(4)55-44)28(5)39(30(7)43(51)58-35)59-36-23-46(10,53-14)42(31(8)56-36)61-45(52)54-24-33-19-17-16-18-20-33/h16-20,25-28,30-31,34-37,39-40,42,44H,15,21-24H2,1-14H3/t25-,26-,27-,28-,30-,31+,34+,35+,36+,37+,39-,40-,42+,44+,46-,47+/m1/s1