Castalin

Castalin
	Chemical structure of 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,2H2 Key: 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−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Castalin is an ellagitannin. It can be found in oak wood^[1] and in Melaleuca quinquenervia leaves.^[2]

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References

Identifiers
Chemical structure of castalin
CAS Number	19086-75-0^Y
3D model (JSmol)	Interactive image
ChemSpider	59696884
PubChem CID	99973
UNII	BA7JCC4U52^Y
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,2H2 Key: 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⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references