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Castalin

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Castalin
Chemical structure of castalin
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C27H20O18/c28-2-5-14(31)23-24-20(37)12-11(27(42)45-24)9(18(35)22(39)19(12)36)8-10(26(41)44-23)7(16(33)21(38)17(8)34)6-3(25(40)43-5)1-4(29)13(30)15(6)32/h1,5,14,20,23-24,28-39H,2H2Key: PPUHUWSVCUJGTD-UHFFFAOYSA-N
SMILES
  • C1=C2C(=C(C(=C1O)O)O)C3=C4C(=C(C(=C3O)O)O)C5=C6C(=C(C(=C5O)O)O)C(C(C(C(C(OC2=O)CO)O)OC4=O)OC6=O)O
Properties
Chemical formula C27H20O18
Molar mass 632.439 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

Castalin is an ellagitannin. It can be found in oak wood and in Melaleuca quinquenervia leaves.

References

  1. Prida, Andrei; Boulet, Jean-Claude; Ducousso, Alexis; Nepveu, Gérard; Puech, Jean-Louis (2006). "Effect of species and ecological conditions on ellagitannin content in oak wood from an even-aged and mixed stand of Quercus robur L. And Quercus petraea Liebl". Annals of Forest Science. 63 (4): 415–424. Bibcode:2006AnFSc..63..415P. doi:10.1051/forest:2006021. Archived 2007-07-12 at the Wayback Machine
  2. Moharram, F. A.; Marzouk, M. S.; El-Toumy, S. A. A.; Ahmed, A. A. E.; Aboutabl, E. A. (2003). "Polyphenols of Melaleuca quinquenervia leaves – pharmacological studies of grandinin". Phytotherapy Research. 17 (7): 767–773. doi:10.1002/ptr.1214. PMID 12916075. S2CID 45936055.
Types of ellagitannins
Moieties
Lactones
Monomers
C-glycosidic ellagitannins
Dehydroellagitannins (molecules with
dehydrohexahydroxydiphenic acid (DHHDP)
Transformed ellagitannins
molecules with chebulic acid
molecules with Elaeocarpusinic acid
Oligomers
Dimers
Agrimoniin
Cornusiin E (dimer of tellimagrandin II)
Lambertianin A and B
Nobotanin B
Roburin A, B, C and D
Sanguiin H-6
Trimers
Lambertianin C
Raspberry ellagitannin
Tetramers
Lambertianin D
Nobotanin S
Pentamer
Melastoflorin A
Other
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