[(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3R,4S,5R)-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] N-(4-dimethylaminophenyl)carbamate

Systemtic Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-19-[(2S,3R,4S,5R)-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-oxan-2-yl]-5,7,9,11,13,15-hexamethyl-8,14,18-tris(oxidanyl)nonadeca-1,3,11,16-tetraen-6-yl] N-(4-dimethylaminophenyl)carbamate Openeye Name: [(1S,2S,3R,4S,6Z,8S,9S,10S,11Z,13S)-3,9,13-trihydroxy-14-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxo-tetrahydropyran-2-yl]-2,4,6,8,10-pentamethyl-1-[(1S,2Z)-1-methylpenta-2,4-dienyl]tetradeca-6,11-dienyl] N-(4-dimethylaminophenyl)carbamate CAS Name: N-(4-dimethylaminophenyl)carbamic acid [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxo-2-oxanyl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] ester IUPAC Name: [(3Z,5S,6S,7S,8R,9S,11Z,13S,14S,15S,16Z,18S)-8,14,18-trihydroxy-19-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] N-(4-dimethylaminophenyl)carbamate Traditional Name: N-(4-dimethylaminophenyl)carbamic acid [(1S,2S,3R,4S,6Z,8S,9S,10S,11Z,13S)-3,9,13-trihydroxy-14-[(2S,3R,4S,5R)-4-hydroxy-6-keto-3,5-dimethyl-tetrahydropyran-2-yl]-2,4,6,8,10-pentamethyl-1-[(1S,2Z)-1-methylpenta-2,4-dienyl]tetradeca-6,11-dienyl] ester Formula: C41H64N2O8 MolecularWeight: 712.95546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C(C1O)C)CC(C=CC(C)C(C(C)C=C(C)CC(C)C(C(C)C(C(C)C=CC=C)OC(=O)NC2=CC=C(C=C2)N(C)C)O)O)O

Isomeric SMILES

C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C\[C@H](C)[C@@H]([C@@H](C)/C=C(/C)\C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=C\C=C)OC(=O)NC2=CC=C(C=C2)N(C)C)O)O)O

InChI

InChI=1S/C41H64N2O8/c1-12-13-14-26(4)39(51-41(49)42-32-16-18-33(19-17-32)43(10)11)30(8)37(46)28(6)22-24(2)21-27(5)36(45)25(3)15-20-34(44)23-35-29(7)38(47)31(9)40(48)50-35/h12-21,25-31,34-39,44-47H,1,22-23H2,2-11H3,(H,42,49)/b14-13-,20-15-,24-21-/t25-,26-,27-,28-,29-,30-,31+,34+,35-,36-,37+,38-,39-/m0/s1