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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-(4-hydroxyphenyl)ethyl]propanamide

Catalog ID
STL552156
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)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 C34H32ClNO10 MW 650.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClNO10/c1-17-12-22(38)28(32(40)34(17)33(41)29-25(42-2)15-26(43-3)30(35)31(29)46-34)21(19-6-9-23-24(13-19)45-16-44-23)14-27(39)36-11-10-18-4-7-20(37)8-5-18/h4-9,13,15,17,21,37,40H,10-12,14,16H2,1-3H3,(H,36,39)/t17-,21?,34+/m1/s1
InChIKey
GPUPQRQTCRNALD-LQRWZQJUSA-N
Synonyms

135640437
3(13benzodioxol5yl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(4hydroxyphenyl)ethyl)propanamide
3(13benzodioxol5yl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(4hydroxyphenyl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(4hydroxyphenethyl)propanamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=O)C(=C1O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)O)Cl
InChI=1SC34H32ClNO10c1171222(38)28(32(40)34(17)33(41)2925(422)1526(433)30(35)31(29)4634)21(19692324(1319)45164423)1427(39)361110184720(37)8518h49131517213740H10121416H213H3(H3639)t1721?34+m1s1
ZINC001547138767
ZINC001547138771

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Available files

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