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N-[(1R)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL562000
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@H](c1ccc(cc1)O)C(=O)N

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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 C36H37ClN2O12 MW 725.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37ClN2O12/c1-16-11-21(41)27(33(43)36(16)34(44)28-22(46-2)15-23(47-3)29(37)32(28)51-36)20(18-12-24(48-4)31(50-6)25(13-18)49-5)14-26(42)39-30(35(38)45)17-7-9-19(40)10-8-17/h7-10,12-13,15-16,20,30,40,43H,11,14H2,1-6H3,(H2,38,45)(H,39,42)/t16-,20
InChIKey
ZNEZIFBMPNDHRB-JFXQRYAKSA-N
Synonyms

145705352
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N(C@H)(c1ccc(cc1)O)C(=O)N
InChI=1SC36H37ClN2O12c1161121(41)27(33(43)36(16)34(44)2822(462)1523(473)29(37)32(28)5136)20(181224(484)31(506)25(1318)495)1426(42)3930(35(38)45)177919(40)10817h7101213151620304043H1114H216H3(H23845)(H3942)t1620?3036+m1s1
MFCD32651054
N((1R)2amino1(4hydroxyphenyl)2oxoethyl)3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(345trimethoxyphenyl)propanamide
N((1R)2AMINO1(4HYDROXYPHENYL)2OXOETHYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(345TRIMETHOXYPHENYL)PROPANAMID
N((1R)2amino1(4hydroxyphenyl)2oxoethyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
N((R)2amino1(4hydroxyphenyl)2oxoethyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(345trimethoxyphenyl)propanamide
ZINC001848443542
ZINC001848443543

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Available files

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