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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-nonylpropanamide

Catalog ID
STL552316
SMILES CCCCCCCCCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2

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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 C35H42ClNO9 MW 656.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42ClNO9/c1-5-6-7-8-9-10-11-14-37-28(39)17-22(21-12-13-24-25(16-21)45-19-44-24)29-23(38)15-20(2)35(33(29)40)34(41)30-26(42-3)18-27(43-4)31(36)32(30)46-35/h12-13,16,18,20,22,40H,5-11,14-15,17,19H2,1-4H3,(H,37,39)/t20-,22?,35+/m1/s1
InChIKey
HKSKJNCSQLYTNF-QGPRUUBLSA-N
Synonyms

135640573
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)nonylpropanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)Nnonylpropanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)Nnonylpropanamide
CCCCCCCCCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc2c(c1)OCO2
InChI=1SC35H42ClNO9c1567891011143728(39)1722(2112132425(1621)45194424)2923(38)1520(2)35(33(29)40)34(41)3026(423)1827(434)31(36)32(30)4635h12131618202240H51114151719H214H3(H3739)t2022?35+m1s1
ZINC001547138854
ZINC001547138857

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Available files

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