rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate

CAS Registry Number®

196615-89-1
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CAS Name

rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate

Molecular Formula

C25H22Cl2O12

Molecular Mass

585.34

Cite this Page

rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=196615-89-1 (retrieved 2024-05-02) (CAS RN: 196615-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25+/m1/s1

InChIKey

InChIKey=LNGFWDFUPRZMJI-VEHFIHCQSA-N

SMILES

C(OC)(=O)C=1[C@@]2(C(=O)C=3C(O2)=C(Cl)C(C)=C(Cl)C3O[C@@H]4C(C(OC)=O)=C[C@@H](O)[C@@H](O)[C@@H]4O)C(OC)=CC(=O)C1

Canonical SMILES

O=C(OC)C1=CC(O)C(O)C(O)C1OC=2C(Cl)=C(C(Cl)=C3OC4(C(=O)C23)C(OC)=CC(=O)C=C4C(=O)OC)C

Other Names for this Substance

  • Spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylic acid, 5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]-, methyl ester, (1′S)-rel-(+)-
  • Spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylic acid, 5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]-, methyl ester, [1α(S*),4β,5β,6α]-(+)-
  • rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate
  • Sch 202596

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