Castalin: Difference between revisions

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	\| CASNo = 19086-75-0		\| CASNo = 19086-75-0
	\| CASNo_Ref = {{cascite\|correct\|CAS}}		\| CASNo_Ref = {{cascite\|correct\|CAS}}
			\| ChemSpiderID = 59696884
	\| UNII_Ref = {{fdacite\|correct\|FDA}}		\| UNII_Ref = {{fdacite\|correct\|FDA}}
	\| UNII = BA7JCC4U52		\| UNII = BA7JCC4U52
	\| CASNoOther =
	\| PubChem = 99973		\| PubChem = 99973
			\| StdInChI=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,2H2
			\| StdInChIKey = 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		\| 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
		⚫	}}
	\| InChI =
	\| MeSHName =
⚫	}}
	\|Section2={{Chembox Properties		\|Section2={{Chembox Properties
	\| C=27 \| H=20 \| O=18		\| C=27 \| H=20 \| O=18

Latest revision as of 08:14, 25 November 2024

Castalin
Identifiers

CAS Number	19086-75-0
3D model (JSmol)	Interactive image
ChemSpider	59696884
PubChem CID	99973
UNII	BA7JCC4U52
CompTox Dashboard (EPA)	DTXSID901029284
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). Y verify (what is ?) Infobox references

Chemical compound

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

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
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.

Moieties

Lactones

Monomers

C-glycosidic ellagitannins

Dehydroellagitannins (molecules with
dehydrohexahydroxydiphenic acid (DHHDP)

Transformed ellagitannins

molecules with chebulic acid	Chebulagic acid Chebulinic acid
molecules with Elaeocarpusinic acid	Elaeocarpusin Helioscopin B Mallojaponin (1-O-Galloyl-2,4-elaeocarpusinoyl-3,6-(R)-valoneayl-beta-D-glucose)

Oligomers

Dimers: Agrimoniin; Cornusiin E (dimer of tellimagrandin II); Lambertianin A and B; Nobotanin B; Roburin A, B, C and D; Sanguiin H-6

Other

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