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3-(1,3-benzodioxol-5-yl)-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]-N-[2-(pyridin-2-yl)ethyl]propanamide

Catalog ID
STL552161
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccccn1)Cl

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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 C33H31ClN2O9 MW 635.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31ClN2O9/c1-17-12-21(37)27(31(39)33(17)32(40)28-24(41-2)15-25(42-3)29(34)30(28)45-33)20(18-7-8-22-23(13-18)44-16-43-22)14-26(38)36-11-9-19-6-4-5-10-35-19/h4-8,10,13,15,17,20,39H,9,11-12,14,16H2,1-3H3,(H,36,38)/t17-,20?,33+/m1/s1
InChIKey
OAISOGLYNRRIOL-FYZCPPNCSA-N
Synonyms

135640441
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2pyridin2ylethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(pyridin2yl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(pyridin2yl)ethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccccn1)Cl
InChI=1SC33H31ClN2O9c1171221(37)27(31(39)33(17)32(40)2824(412)1525(423)29(34)30(28)4533)20(18782223(1318)44164322)1426(38)3611919645103519h48101315172039H911121416H213H3(H3638)t1720?33+m1s1
ZINC001547208944
ZINC001547208945

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Available files

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