6-[2,4-bis(oxidanyl)hexyl]-2-[(3E,5E,7E)-2-[(2R,3S,4S,5S,6R)-4-[3-(dimethylamino)propanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxydeca-3,5,7,9-tetraenyl]-4,6-bis(oxidanyl)oxane-3-carboxylic acid

Systemtic Name: 6-[2,4-bis(oxidanyl)hexyl]-2-[(3E,5E,7E)-2-[(2R,3S,4S,5S,6R)-4-[3-(dimethylamino)propanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxydeca-3,5,7,9-tetraenyl]-4,6-bis(oxidanyl)oxane-3-carboxylic acid Openeye Name: 6-(2,4-dihydroxyhexyl)-2-[(3E,5E,7E)-2-[(2R,3S,4S,5S,6R)-4-[3-(dimethylamino)propanoylamino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxydeca-3,5,7,9-tetraenyl]-4,6-dihydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 6-(2,4-dihydroxyhexyl)-2-[(3E,5E,7E)-2-[[(2R,3S,4S,5S,6R)-4-[[3-(dimethylamino)-1-oxopropyl]amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]deca-3,5,7,9-tetraenyl]-4,6-dihydroxy-3-oxanecarboxylic acid IUPAC Name: 6-(2,4-dihydroxyhexyl)-2-[(3E,5E,7E)-2-[(2R,3S,4S,5S,6R)-4-[3-(dimethylamino)propanoylamino]-3,5-dihydroxy-6-methyloxan-2-yl]oxydeca-3,5,7,9-tetraenyl]-4,6-dihydroxyoxane-3-carboxylic acid Traditional Name: 6-(2,4-dihydroxyhexyl)-2-[(3E,5E,7E)-2-[(2R,3S,4S,5S,6R)-4-[3-(dimethylamino)propanoylamino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxydeca-3,5,7,9-tetraenyl]-4,6-dihydroxy-tetrahydropyran-3-carboxylic acid Formula: C33H54N2O12 MolecularWeight: 670.78806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC1(CC(C(C(O1)CC(C=CC=CC=CC=C)OC2C(C(C(C(O2)C)O)NC(=O)CCN(C)C)O)C(=O)O)O)O)O)O

Isomeric SMILES

CCC(CC(CC1(CC(C(C(O1)CC(/C=C/C=C/C=C/C=C)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)C)O)NC(=O)CCN(C)C)O)C(=O)O)O)O)O)O

InChI

InChI=1S/C33H54N2O12/c1-6-8-9-10-11-12-13-23(46-32-30(41)28(29(40)20(3)45-32)34-26(39)14-15-35(4)5)17-25-27(31(42)43)24(38)19-33(44,47-25)18-22(37)16-21(36)7-2/h6,8-13,20-25,27-30,32,36-38,40-41,44H,1,7,14-19H2,2-5H3,(H,34,39)(H,42,43)/b9-8+,11-10+,13-12+/t20-,21?,22?,23?,24?,25?,27?,28+,29-,30+,32+,33?/m1/s1