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Substance Name: Pilorubrosin
RN: 33993-68-9
InChIKey: KEEVEMYXIXMZSC-HGJKNBTDSA-N

Note

  • Phenolic allopyranoside ester; metabolite of Protea rubropilosa Beard.

Molecular Formula

  • C20-H22-O9

Molecular Weight

  • 406.3848
 
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Names and Synonyms

Name of Substance

  • Pilorubrosin

Synonym

  • 2-Hydroxy-4-hydroxymethylphenyl 6-O-benzoyl-beta-D-allopyranoside

Systematic Name

  • beta-D-Allopyranoside, 2-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate

Registry Numbers

CAS Registry Number

  • 33993-68-9

System Generated Number

  • 0033993689

Structure Descriptors

InChI

1S/C20H22O9/c21-9-11-6-7-14(13(22)8-11)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)12-4-2-1-3-5-12/h1-8,15-18,20-25H,9-10H2/t15-,16-,17-,18-,20-/m1/s1

InChIKey

KEEVEMYXIXMZSC-HGJKNBTDSA-N

Smiles

OCc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H](O)[C@H]2O)c(O)c1