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Substance Name: Malvin
RN: 16727-30-3
UNII: I9I120531L
InChIKey: RHKJIVJBQJXLBY-FTIBDFQESA-N

Molecular Formula

  • C29-H35-O17.Cl

Molecular Weight

  • 691.0315
 
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Names and Synonyms

Results Name

  • Malvin

Name of Substance

  • Malvin

Synonyms

  • EINECS 240-785-9
  • Malvin
  • NSC 407312
  • UNII-I9I120531L

Systematic Name

  • 3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride

Registry Numbers

CAS Registry Number

  • 16727-30-3

FDA UNII

  • I9I120531L

System Generated Number

  • 0016727303

Molecular Formulas

Molecular Formula

  • C29-H35-O17.Cl

Molecular Formula Fragments

  • C29-H35-O17
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/m1./s1

InChIKey

RHKJIVJBQJXLBY-FTIBDFQESA-N

Smiles

[Cl-].COc1cc(cc(OC)c1O)c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O