(3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrakis(oxidanyl)-15,19-bis(oxidanylidene)-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide

Systemtic Name: (3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrakis(oxidanyl)-15,19-bis(oxidanylidene)-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Openeye Name: (3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide CAS Name: (3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide IUPAC Name: (3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Traditional Name: (3R,4E,6E,8E,10E,13R,16R,17R,23R,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-diketo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxamide Formula: C39H62N2O13 MolecularWeight: 766.91518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CCCC(=O)CC(C(C(=O)O1)CC)O)O)O)O)C(=O)N)OC3C(C(C(C(O3)C)O)N)O

Isomeric SMILES

CCC[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](CC2[C@@H]([C@H](C[C@](O2)(C[C@@H](CCCC(=O)C[C@H]([C@H](C(=O)O1)CC)O)O)O)O)C(=O)N)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

InChI

InChI=1S/C39H62N2O13/c1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(47)33(40)34(46)23(3)51-38)20-31-32(36(41)48)30(45)22-39(50,54-31)21-25(43)16-13-15-24(42)19-29(44)28(5-2)37(49)52-26/h6-12,18,23,25-35,38,43-47,50H,4-5,13-17,19-22,40H2,1-3H3,(H2,41,48)/b7-6+,10-8+,11-9+,18-12+/t23-,25-,26-,27+,28-,29-,30+,31?,32-,33+,34-,35+,38+,39-/m1/s1