Punicacortein C

Punicacortein C
Identifiers
CAS Number	103488-37-5;
3D model (JSmol)	Interactive image;
ChemSpider	23339998;
PubChem CID	16129720;
CompTox Dashboard (EPA)	DTXSID001316860 ;
	InChI InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2 Key: FESAEKUFXJFTFG-UHFFFAOYSA-N;
	SMILES C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O;
Properties
Chemical formula	C48H28O30
Molar mass	1084.68 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Punicacortein C is an ellagitannin, a phenolic compound. It is found in the bark of Punica granatum (pomegranate).^[2] The molecule contains a gallagic acid component.

References

^ CID 16129720 from PubChem
^ Tannins and Related Compounds. XLI. : Isolation and Characterization of Novel Ellagitannins, Punicacorteins A, B, C, and D, and Punigluconin from the Bark of Punica granatum L. Tanaka Takashi, Nonaka Gen-Ichiro and Nishioka Itsuo, Chemical & Pharmaceutical Bulletin, 1986-02-25, 34(2), pages 656-663 (abstract)

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[1] CID 16129720 from PubChem

[2] Tannins and Related Compounds. XLI. : Isolation and Characterization of Novel Ellagitannins, Punicacorteins A, B, C, and D, and Punigluconin from the Bark of Punica granatum L. Tanaka Takashi, Nonaka Gen-Ichiro and Nishioka Itsuo, Chemical & Pharmaceutical Bulletin, 1986-02-25, 34(2), pages 656-663 (abstract)

[2]

[1]

Identifiers

CAS Number	103488-37-5^[1]
3D model (JSmol)	Interactive image
ChemSpider	23339998
PubChem CID	16129720
CompTox Dashboard (EPA)	DTXSID001316860
InChI InChI=1S/C48H28O30/c49-8-1-5-12(27(56)24(8)53)15-20-18-19-21(47(71)76-39(18)36(65)31(15)60)16(32(61)37(66)40(19)75-46(20)70)13-6(2-9(50)25(54)28(13)57)44(68)74-38(11(52)4-73-43(5)67)42-41-34(63)23-22(48(72)77-41)17(30(59)35(64)33(23)62)14-7(45(69)78-42)3-10(51)26(55)29(14)58/h1-3,11,34,38,41-42,49-66H,4H2 Key: FESAEKUFXJFTFG-UHFFFAOYSA-N
SMILES C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O
Properties
Chemical formula	C₄₈H₂₈O₃₀
Molar mass	1084.68 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references