(1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-15-(furan-2-yl)-2,6,8,11,13,17-hexamethyl-6,7-bis(oxidanyl)-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one

Systemtic Name: (1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-15-(furan-2-yl)-2,6,8,11,13,17-hexamethyl-6,7-bis(oxidanyl)-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one Openeye Name: (1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-15-(2-furyl)-6,7-dihydroxy-2,6,8,11,13,17-hexamethyl-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one CAS Name: (1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-15-(2-furanyl)-6,7-dihydroxy-2,6,8,11,13,17-hexamethyl-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one IUPAC Name: (1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-15-(furan-2-yl)-6,7-dihydroxy-2,6,8,11,13,17-hexamethyl-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one Traditional Name: (1S,2R,5S,6S,7R,8S,11R,17S,18R)-18-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-15-(2-furyl)-6,7-dihydroxy-2,6,8,11,13,17-hexamethyl-4,14,16-trioxa-9-azabicyclo[11.3.2]octadecan-3-one Formula: C34H58N2O10 MolecularWeight: 654.83172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(NCC(CC2(C(C(C(C(C(=O)O1)C)OC(O2)C3=CC=CO3)C)OC4C(C(CC(O4)C)N(C)C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](NC[C@@H](CC2([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(O2)C3=CC=CO3)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O

InChI

InChI=1S/C34H58N2O10/c1-11-25-34(8,40)28(38)22(6)35-17-18(2)16-33(7)29(45-32-26(37)23(36(9)10)15-19(3)42-32)20(4)27(21(5)30(39)43-25)44-31(46-33)24-13-12-14-41-24/h12-14,18-23,25-29,31-32,35,37-38,40H,11,15-17H2,1-10H3/t18-,19-,20+,21-,22+,23+,25+,26-,27+,28-,29-,31?,32?,33?,34-/m1/s1