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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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 Grosvenorine156980-60-879 % 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

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

PubChem CAS Common Chemistry NIST WebBook Wikipedia