N-[(E,4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxidanylidene-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-9,29-bis(oxidanyl)-17,27-bis(oxidanylidene)-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodec-1-enyl]-N-methyl-methanamide

Systemtic Name: N-[(E,4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxidanylidene-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-9,29-bis(oxidanyl)-17,27-bis(oxidanylidene)-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]dodec-1-enyl]-N-methyl-methanamide Openeye Name: N-[(E,4R,5R,9S,10S,11S)-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-9,29-dihydroxy-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxo-dodec-1-enyl]-N-methyl-formamide CAS Name: N-[(E,4R,5R,9S,10S,11S)-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-9,29-dihydroxy-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide IUPAC Name: N-[(E,4R,5R,9S,10S,11S)-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-9,29-dihydroxy-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-17,27-dioxo-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-enyl]-N-methylformamide Traditional Name: N-[(E,4R,5R,9S,10S,11S)-11-[(1S,2R,3S,5S,6E,8R,9S,11S,12E,14S,15S,18E,20E,23R,24S,29S)-9,29-dihydroxy-17,27-diketo-3,5,11,23,24-pentamethoxy-2,8,14,21-tetramethyl-16,28-dioxabicyclo[23.3.1]nonacosa-6,12,18,20,25-pentaen-15-yl]-6-keto-4,10-dimethoxy-5,9-dimethyl-dodec-1-enyl]-N-methyl-formamide Formula: C54H87NO15 MolecularWeight: 990.26628

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC

Isomeric SMILES

C[C@@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)[C@@H]([C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)OC)O)C)OC)OC

InChI

InChI=1S/C54H87NO15/c1-33-18-16-20-48(59)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)45(64-11)19-17-27-55(8)32-56)36(4)22-25-40(62-9)29-44(58)34(2)21-24-41(63-10)30-46(65-12)38(6)53-50(61)42(31-49(60)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,58,61H,19,23,26,28-30H2,1-15H3/b20-16+,24-21+,25-22+,27-17+,33-18+/t34-,35+,36+,37+,38-,39+,40-,41-,44+,45-,46+,47-,50+,51+,52+,53+,54+/m1/s1