chempirical

Kaempferitrin

C27H30O14CAS 482-38-2578.52 g/mol

Open in Covalent MOL file
OOOHOOOOHOHOHOHOHOHOHO
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O14
Molar mass
578.52 g/mol
Exact mass
578.1636 Da
Melting point
190–195 °C
logP
-0.72Crippen estimate
Polar surface area
229.0 Ų
H-bond donors / acceptors
8 / 14
Rotatable bonds
5
Stereocentres
S, S, S, S, R, R, R, R, R, Rin SMILES atom order

Identifiers

CAS number
482-38-2
SMILES
C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
InChIKey
PUPKKEQDLNREIM-QNSQPKOQSA-N
InChI
InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
  • 3,7-Bis[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 3,4′,5,7-Tetrahydroxyflavone 3,7-dirhamnoside
  • Kaempferol 3,7-dirhamnoside
  • Kaempferol 3,7-di-α-L-rhamnoside
  • Lespedin
  • Kaempferol 3,7-bisrhamnoside
  • Kaempferol 3,7-di-O-rhamnoside
  • Lespenephryl
  • Kaempferol 3,7-di-O-α-L-rhamnopyranoside
  • Kaempferol 3-O-α-L-rhamnopyranoside 7-O-α-L-rhamnopyranoside
  • Kaempferol 3-O-rhamnoside 7-O-rhamnoside
  • Kaempferol 3,7-di-α-L-rhamnopyranoside
  • Kaempferol 3,7-O-α-L-dirhamnoside
  • Kaempferol 3,7-di-O-rhamnopyranoside
  • Kaempferol-3,7-O-dirhamnose
  • Grosvenorine II

Work with Kaempferitrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Afzelin482-39-386 % similar Robinin301-19-985 % similar Kaempferol 3-O-sophoroside 7-O-rhamnoside93098-79-479 % similar Quercitrin522-12-375 % similar Kaempferol 3-O-rutinoside17650-84-974 % similar Quercetin 7-O-rhamnoside22007-72-371 % similar Myricitrin17912-87-770 % similar Clitorin55804-74-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Rhoifolin17306-46-6 Apigenin 7-O-rutinoside552-57-8 Vitexin 2′′-O-rhamnoside64820-99-1

Elsewhere

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