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Substance Name: Xanthalin
RN: 21800-48-6
InChIKey: LBKPHBYDOWPFMZ-ACVPTOMQSA-N

Molecular Formula

  • C24-H26-O7

Molecular Weight

  • 426.4624
 
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Names and Synonyms

Name of Substance

  • Xanthalin

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo(1,2-b:5,4-b')dipyran-6,7-diyl ester, (6R-(6alpha(Z),7alpha(Z)))-

Registry Numbers

CAS Registry Number

  • 21800-48-6

System Generated Number

  • 0021800486

Structure Descriptors

InChI

1S/C24H26O7/c1-7-13(3)22(26)29-20-16-11-15-9-10-19(25)28-17(15)12-18(16)31-24(5,6)21(20)30-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8+/t20-,21-/m1/s1

InChIKey

LBKPHBYDOWPFMZ-ACVPTOMQSA-N

Smiles

C/C=C(/C)\C(=O)O[C@@H]1c2cc3ccc(=O)oc3cc2OC([C@@H]1OC(=O)/C(=C/C)/C)(C)C