chempirical

Kaempferol 3-O-rutinoside

C27H30O15CAS 17650-84-9594.52 g/mol

Open in Covalent MOL file
OOOOHOOOHOHOHOOHOHOHOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C27H30O15
Molar mass
594.52 g/mol
Exact mass
594.1585 Da
Melting point
220–225 °C
logP
-1.39Crippen estimate
Polar surface area
249.2 Ų
H-bond donors / acceptors
9 / 15
Rotatable bonds
6
Stereocentres
S, R, R, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
17650-84-9
SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
RTATXGUCZHCSNG-QHWHWDPRSA-N
InChI
InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,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

21 names · show all
  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Nicotiflorin
  • Flavone, 3,4′,5,7-tetrahydroxy-, 3-rhamnoglucoside
  • 3-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 3-rhamnoglucoside
  • Nicotiflorine
  • Kaempferol 3-rutinoside
  • Kaempferol 3-β-rutinoside
  • Kaempferol 3-O-β-rutinoside
  • Nicotifloroside
  • Kaempferol 3-O-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside]
  • Kaempferol 3-O-β-D-rutinoside
  • Nicotifiorin
  • Kaempferol 3-O-β-D-(6′′-O-α-L-rhamnopyranosyl)glucopyranoside
  • Kaempferol 3-O-α-L-rhamnopyranosyl-β-D-glucopyranoside
  • Kaempferol 3-O-α-rhamnopyranosyl-(1→6)-β-glucopyranoside
  • 6′′-O-α-L-Rhamnopyranosylastragalin
  • Nicotoflorin
  • Kaempferol 3-O-α-rhamnopyranosyl-(1′′′→6′′)-β-glucopyranoside
  • Kaempferol-3-O-[6-O-(α-L-rhamnopyranosyl)]-β-D-glucoside
  • Aromadendrin 3-O-rutinoside

Work with Kaempferol 3-O-rutinoside

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

Clitorin55804-74-590 % similar Rutin153-18-488 % similar Robinin301-19-988 % similar Afzelin482-39-384 % similar Narcissin604-80-883 % similar Kaempferol 3-O-gentiobioside22149-35-582 % similar Alcesefoliside124151-38-880 % similar Typhaneoside104472-68-676 % similar

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

Same formula

Baicalein 7-O-diglucoside114482-86-9 Saponarin20310-89-8 Veronicastroside25694-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook