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3-(7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl)-N-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propanamide

Catalog ID
STL551806
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CS(=O)(=O)CC1O

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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 C30H32ClNO12S MW 666.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO12S/c1-13-7-18(34)24(28(37)30(13)29(38)25-21(42-3)10-22(43-4)26(31)27(25)44-30)15(14-5-6-17(33)20(8-14)41-2)9-23(36)32-16-11-45(39,40)12-19(16)35/h5-6,8,10,13,15-16,19,33,35,37H,7,9,11-12H2,1-4H3,(H,32,36)
InChIKey
ZPTKNOYKFSBLMP-UHFFFAOYSA-N
Synonyms

135640148
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((3R4S)4hydroxy11dioxidotetrahydrothiophen3yl)3(4hydroxy3methoxyphenyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(4hydroxy11dioxothiolan3yl)3(4hydroxy3methoxyphenyl)propanamide
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(4hydroxy11dioxidotetrahydrothiophen3yl)3(4hydroxy3methoxyphenyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N(C@H)1CS(=O)(=O)C(C@H)1O
InChI=1SC30H32ClNO12Sc113718(34)24(28(37)30(13)29(38)2521(423)1022(434)26(31)27(25)4430)15(145617(33)20(814)412)923(36)32161145(3940)1219(16)35h5681013151619333537H791112H214H3(H3236)
MFCD31758274
ZINC001772492920
ZINC001772492923

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Available files

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