[(4Z)-6-acetyloxy-3,7-dimethyl-2-[(2E,4E)-6-methyl-6-oxidanyl-7-[3-(3-oxidanylpentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-10-oxidanyl-12-oxidanylidene-1-oxacyclododec-4-en-7-yl] 4-ethyl-1,4-diazepane-1-carboxylate

Systemtic Name: [(4Z)-6-acetyloxy-3,7-dimethyl-2-[(2E,4E)-6-methyl-6-oxidanyl-7-[3-(3-oxidanylpentan-2-yl)oxiran-2-yl]hepta-2,4-dien-2-yl]-10-oxidanyl-12-oxidanylidene-1-oxacyclododec-4-en-7-yl] 4-ethyl-1,4-diazepane-1-carboxylate Openeye Name: [(4Z)-6-acetoxy-10-hydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-7-yl] 4-ethyl-1,4-diazepane-1-carboxylate CAS Name: 4-ethyl-1,4-diazepane-1-carboxylic acid [(4Z)-6-acetyloxy-10-hydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-7-yl] ester IUPAC Name: [(4Z)-6-acetyloxy-10-hydroxy-2-[(2E,4E)-6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-7-yl] 4-ethyl-1,4-diazepane-1-carboxylate Traditional Name: 4-ethyl-1,4-diazepane-1-carboxylic acid [(4Z)-6-acetoxy-10-hydroxy-2-[(1E,3E)-5-hydroxy-6-[3-(2-hydroxy-1-methyl-butyl)oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-12-keto-3,7-dimethyl-1-oxacyclododec-4-en-7-yl] ester Formula: C38H62N2O10 MolecularWeight: 706.90628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)OC(=O)N3CCCN(CC3)CC)OC(=O)C)C)O)O

Isomeric SMILES

CCC(C(C)C1C(O1)CC(C)(/C=C/C=C(\C)/C2C(/C=C\C(C(CCC(CC(=O)O2)O)(C)OC(=O)N3CCCN(CC3)CC)OC(=O)C)C)O)O

InChI

InChI=1S/C38H62N2O10/c1-9-30(43)27(5)35-31(48-35)24-37(7,46)17-11-13-25(3)34-26(4)14-15-32(47-28(6)41)38(8,18-16-29(42)23-33(44)49-34)50-36(45)40-20-12-19-39(10-2)21-22-40/h11,13-15,17,26-27,29-32,34-35,42-43,46H,9-10,12,16,18-24H2,1-8H3/b15-14-,17-11+,25-13+