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(2E,9bR)-6-acetyl-2-(1-{[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL547749
SMILES COc1ccc2c(c1OC)C(=O)OC2CN/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/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 C29H27NO10 MW 549.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO10/c1-11-23(33)20(13(3)31)26-22(24(11)34)29(4)18(40-26)9-15(32)19(27(29)35)12(2)30-10-17-14-7-8-16(37-5)25(38-6)21(14)28(36)39-17/h7-9,17,30,33-34H,10H2,1-6H3/b19-12+/t17?,29-/m0/s1
InChIKey
IBVVSNIFEHFOGD-QQQYWGFZSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl2(1((45dimethoxy3oxo1~(H)2benzofuran1yl)methylamino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1(((45dimethoxy3oxo13dihydro2benzofuran1yl)methyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl2(1(((45dimethoxy3oxo13dihydroisobenzofuran1yl)methyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541226
COc1ccc2c(c1OC)C(=O)OC2CNC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC29H27NO10c11123(33)20(13(3)31)2622(24(11)34)29(4)18(4026)915(32)19(27(29)35)12(2)301017147816(375)25(386)21(14)28(36)3917h7917303334H10H216H3b1912+t17?29m0s1
ZINC000263585393
ZINC000263585394

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Available files

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