(7E,8R,10S,11R,12S,14R)-7-ethenoxyimino-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,6,8,10,12,14-hexamethyl-11-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-10-oxidanyl-4-(3-phenylpropyl)-1-oxa-4-azacyclopentadecan-15-one

Systemtic Name: (7E,8R,10S,11R,12S,14R)-7-ethenoxyimino-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,6,8,10,12,14-hexamethyl-11-[(2S,3R,4S,6R)-6-methyl-4-(methylamino)-3-oxidanyl-oxan-2-yl]oxy-10-oxidanyl-4-(3-phenylpropyl)-1-oxa-4-azacyclopentadecan-15-one Openeye Name: (7E,8R,10S,11R,12S,14R)-2-ethyl-10-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3,6,8,10,12,14-hexamethyl-4-(3-phenylpropyl)-7-vinyloxyimino-1-oxa-4-azacyclopentadecan-15-one CAS Name: (7E,8R,10S,11R,12S,14R)-7-ethenoxyimino-2-ethyl-10-hydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-11-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)-2-oxanyl]oxy]-3,6,8,10,12,14-hexamethyl-4-(3-phenylpropyl)-1-oxa-4-azacyclopentadecan-15-one IUPAC Name: (7E,8R,10S,11R,12S,14R)-7-ethenoxyimino-2-ethyl-10-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,6,8,10,12,14-hexamethyl-4-(3-phenylpropyl)-1-oxa-4-azacyclopentadecan-15-one Traditional Name: (7E,8R,10S,11R,12S,14R)-2-ethyl-10-hydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-3,6,8,10,12,14-hexamethyl-4-(3-phenylpropyl)-7-vinyloximino-1-oxa-4-azacyclopentadecan-15-one Formula: C47H79N3O11 MolecularWeight: 862.14366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(CC(C(=NOC=C)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)CCCC4=CC=CC=C4)C

Isomeric SMILES

CCC1C(N(CC(/C(=N/OC=C)/[C@@H](C[C@]([C@@H]([C@H](C([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C47H79N3O11/c1-14-37-33(8)50(23-19-22-35-20-17-16-18-21-35)27-29(4)39(49-56-15-2)28(3)25-46(10,54)43(61-45-40(51)36(48-12)24-30(5)57-45)31(6)41(32(7)44(53)59-37)60-38-26-47(11,55-13)42(52)34(9)58-38/h15-18,20-21,28-34,36-38,40-43,45,48,51-52,54H,2,14,19,22-27H2,1,3-13H3/b49-39+/t28-,29?,30-,31+,32-,33?,34+,36+,37?,38+,40-,41?,42+,43-,45+,46+,47-/m1/s1