Mearnsitrin

CAS Registry Number®

30484-88-9
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CAS Name

Mearnsitrin

Molecular Formula

C22H22O12

Molecular Mass

478.40

Cite this Page

Mearnsitrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=30484-88-9 (retrieved 2024-04-27) (CAS RN: 30484-88-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O12/c1-7-15(27)17(29)18(30)22(32-7)34-21-16(28)14-10(24)5-9(23)6-13(14)33-19(21)8-3-11(25)20(31-2)12(26)4-8/h3-7,15,17-18,22-27,29-30H,1-2H3/t7-,15-,17+,18+,22-/m0/s1

InChIKey

InChIKey=NAQNISJXKDSYJD-DHWIRCOFSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(OC)C(O)=C3)[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4

Canonical SMILES

O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=C(O)C(OC)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-
  • Mearnsitrin
  • 3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • 4′-Methylmyricitrin
  • Mearnsetin 3-rhamnoside

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Deleted or Replaced CAS Registry Numbers

11039-35-3, 28759-36-6, 230283-38-2

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