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(2E,9bR)-6-acetyl-2-(1-{[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL548886
SMILES CC(C[C@@H](c1nc2c([nH]1)cccc2)N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C30H31N3O6 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6/c1-13(2)11-19(29-32-17-9-7-8-10-18(17)33-29)31-15(4)22-20(35)12-21-30(6,28(22)38)24-26(37)14(3)25(36)23(16(5)34)27(24)39-21/h7-10,12-13,19,31,36-37H,11H2,1-6H3,(H,32,33)/b22-15+/t19-,30-/m0/s1
InChIKey
GQAJTXMHYUVUML-XYCGTHLWSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1(((1~(S))1(1~(H)benzimidazol2yl)3methylbutyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1(((1S)1(1Hbenzimidazol2yl)3methylbutyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)2(1(((S)1(1Hbenzo(d)imidazol2yl)3methylbutyl)amino)ethylidene)6acetyl79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541963
CC(C(C@@H)(c1nc2c((nH)1)cccc2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)C
InChI=1SC30H31N3O6c113(2)1119(2932179781018(17)3329)3115(4)2220(35)122130(628(22)38)2426(37)14(3)25(36)23(16(5)34)27(24)3921h710121319313637H11H216H3(H3233)b2215+t1930m0s1
ZINC000263585243
ZINC263585243

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Available files

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