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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-(3,4-dihydroxyphenyl)ethyl]propanamide

Catalog ID
STL552425
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(c(c1)O)O)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 C34H32ClNO11 MW 666.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClNO11/c1-16-10-22(39)28(32(41)34(16)33(42)29-25(43-2)14-26(44-3)30(35)31(29)47-34)19(18-5-7-23-24(12-18)46-15-45-23)13-27(40)36-9-8-17-4-6-20(37)21(38)11-17/h4-7,11-12,14,16,19,37-38,41H,8-10,13,15H2,1-3H3,(H,36,40)/t16-,19?,34+/m1/s1
InChIKey
KWSIBCDGVBAUCZ-OZIAJOADSA-N
Synonyms

135640665
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(34dihydroxyphenyl)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(34dihydroxyphenyl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(34dihydroxyphenethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(c(c1)O)O)Cl
InChI=1SC34H32ClNO11c1161022(39)28(32(41)34(16)33(42)2925(432)1426(443)30(35)31(29)4734)19(18572324(1218)46154523)1327(40)3698174620(37)21(38)1117h471112141619373841H8101315H213H3(H3640)t1619?34+m1s1
ZINC001547138405
ZINC001547138406

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Available files

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