[(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-phenylethanoate

Systemtic Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-phenylethanoate Openeye Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] ester IUPAC Name: [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(3R,4S,5S,6R,7S,9R,11R,12R,13S,14R)-6-[(4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl] ester Formula: C38H61NO11 MolecularWeight: 707.89104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC2=CC=CC=C2)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CC=CC=C2)C)OC3C([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C38H61NO11/c1-12-28-38(8,45)33(43)23(4)30(41)21(2)20-37(7,46-11)34(50-36-31(42)27(39(9)10)18-22(3)47-36)24(5)32(25(6)35(44)48-28)49-29(40)19-26-16-14-13-15-17-26/h13-17,21-25,27-28,31-34,36,42-43,45H,12,18-20H2,1-11H3/t21-,22-,23+,24+,25-,27+,28-,31?,32+,33-,34-,36?,37+,38-/m1/s1