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Substance Name: Robinin
RN: 301-19-9
UNII: 75RT1VGM60
InChIKey: PEFASEPMJYRQBW-HKWQTAEVSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C33-H40-O19

Molecular Weight

  • 740.66
 
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Names and Synonyms

Name of Substance

  • Robinin

Synonyms

  • EINECS 206-113-3
  • Kaempferol-3-O-gal-rham-7-O-rham
  • Kaempferol-3-O-robinoside-7-O-rhamnoside
  • NSC 9222
  • Robinin
  • UNII-75RT1VGM60

Systematic Names

  • 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 301-19-9

FDA UNII

  • 75RT1VGM60

System Generated Number

  • 0000301199

Structure Descriptors

InChI

InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1

InChIKey

PEFASEPMJYRQBW-HKWQTAEVSA-N

Smiles

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc(O)c4C3=O)c6ccc(O)cc6)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 250 deg C   EXP
log P (octanol-water) -2.640 (none)   EST
Atmospheric OH Rate Constant 4.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.