2-[(14E)-9-[4-(dimethylamino)-5-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal

Systemtic Name: 2-[(14E)-9-[4-(dimethylamino)-5-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,8,12,16-tetramethyl-7-oxidanyl-5,13-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]ethanal Openeye Name: 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde CAS Name: 2-[(14E)-9-[[5-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde IUPAC Name: 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde Traditional Name: 2-[(14E)-9-[5-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-7-hydroxy-5,13-diketo-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetaldehyde Formula: C38H63NO13 MolecularWeight: 741.90572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)O)CC=O)C)C)C

Isomeric SMILES

CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)O)(C)O)N(C)C)O)CC=O)C)C)C

InChI

InChI=1S/C38H63NO13/c1-11-27-21(4)35-38(8,52-35)14-12-25(41)19(2)16-24(13-15-40)32(20(3)26(42)17-28(43)49-27)51-36-31(44)30(39(9)10)33(22(5)48-36)50-29-18-37(7,46)34(45)23(6)47-29/h12,14-15,19-24,26-27,29-36,42,44-46H,11,13,16-18H2,1-10H3/b14-12+