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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-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide

Catalog ID
STL552276
SMILES COc1ccc(cc1)CCNC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O

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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 C35H36ClNO10 MW 666.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClNO10/c1-18-14-24(39)29(33(41)35(18)34(42)30-26(45-4)17-27(46-5)31(36)32(30)47-35)22(20-8-11-23(38)25(15-20)44-3)16-28(40)37-13-12-19-6-9-21(43-2)10-7-19/h6-11,15,17-18,22,38,41H,12-14,16H2,1-5H3,(H,37,40)/t18-,22?,35+/m1/s1
InChIKey
LQWQWCKYYVQVHN-KIRZNJSMSA-N
Synonyms

132351912
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(4methoxyphenethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2(4methoxyphenyl)ethyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(4methoxyphenyl)ethyl)propanamide
COc1ccc(cc1)CCNC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
InChI=1SC35H36ClNO10c1181424(39)29(33(41)35(18)34(42)3026(454)1727(465)31(36)32(30)4735)22(2081123(38)25(1520)443)1628(40)371312196921(432)10719h611151718223841H121416H215H3(H3740)t1822?35+m1s1
ZINC000824664752
ZINC000824664756

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Available files

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