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CHEBI:40531 - (5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE

Default Structure
ChEBI IDCHEBI:40531
ChEBI Name(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC36H39N3O8
Net Charge0
Average Mass641.721
Monoisotopic Mass641.27372
SMILES[H]Oc1c([H])c([H])c(C([H])([H])C([H])([H])C(=O)N2N(C([H])([H])c3c([H])c([H])c(O[H])c(OC([H])([H])[H])c3[H])C(=O)N(C([H])([H])c3c([H])c([H])c(O[H])c(OC([H])([H])[H])c3[H])[C@]([H])(C([H])([H])c3c([H])c([H])c([H])c([H])c3[H])[C@]([H])(O[H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C36H39N3O8/c1-46-33-19-26(10-15-30(33)41)21-37-29(18-25-6-4-3-5-7-25)32(43)23-38(35(44)17-12-24-8-13-28(40)14-9-24)39(36(37)45)22-27-11-16-31(42)34(20-27)47-2/h3-11,13-16,19-20,29,32,40-43H,12,17-18,21-23H2,1-2H3/t29-,32-/m1/s1
InChIKeyLSKQYQOZDSRURR-QLWXXVCSSA-N
ChEBI Ontology
Outgoing Relation(s)
(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONE (CHEBI:40531) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(5R,6R)-5-benzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1-[3-(4-hydroxyphenyl)propanoyl]-1,2,4-triazepan-3-onePDBeChem
(5R,6R)-5-BENZYL-6-HYDROXY-2,4-BIS(4-HYDROXY-3-METHOXYBENZYL)-1-[3-(4-HYDROXYPHENYL)PROPANOYL]-1,2,4-TRIAZEPAN-3-ONEPDBeChem
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