Arecatannin B1

Arecatannin B1
Names
	IUPAC name [(2R,3R,4R)-Flavan-3,3′,4′,5,7-pentol]-(4→8)-[(2R,3R,4S)-flavan-3,3′,4′,5,7-pentol]-(4→6)-[(2R,3S)-flavan-3,3′,4′,5,7-pentol]
	Systematic IUPAC name (12R,13R,14R,22R,23R,24S,32R,33S)-12,22,32-Tris(3,4-dihydroxyphenyl)-13,14,23,24,33,34-hexahydro-12H,22H,32H-[14,28:24,36-ter-1-benzopyran]-13,15,17,23,25,27,33,35,37-nonol
	Other names Epicatechin-(4β→8)-epicatechin-(4β→6)-catechin
Identifiers
CAS Number	79763-28-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:75642 ;
ChemSpider	10290128 ;
KEGG	C17892;
PubChem CID	14237657;
UNII	3S8S4BYC2M ;
CompTox Dashboard (EPA)	DTXSID40557801 ;
	InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1 Key: PBYRKMXDROOXMU-XKDUFCMJSA-N ; InChI=1/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1 Key: PBYRKMXDROOXMU-XKDUFCMJBX;
	SMILES Oc1ccc(cc1O)[C@H]9Oc2cc(O)cc(O)c2[C@H](c8c(O)cc(O)c3c8O[C@@H]([C@H](O)[C@H]3c6c(O)cc5O[C@H](c4ccc(O)c(O)c4)[C@@H](O)Cc5c6O)c7ccc(O)c(O)c7)[C@H]9O;
Properties
Chemical formula	C45H38O18
Molar mass	866.77 g/mol
	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

Arecatannin B1 is a B type proanthocyanidin found in the betel nut.^[1] It is an arecatannin trimer with a 4β→6 bond.

References

^ Screening of various plant extracts used in Ayurvedic medicine for inhibitory effects on human immunodeficiency virus type 1 (HIV-1) protease. Kusumoto I.T., Nakabayashi T., Kida H., Miyashiro H., Hattori M., Namba T. and Shimotohno K., PTR. Phytotherapy research, 1995, vol. 9, no3, pp. 180-184, INIST 3499215

External links

Arecatannin B1 on http://herbdb.koushi.pref.okinawa.jp (Japanese)

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[1] Screening of various plant extracts used in Ayurvedic medicine for inhibitory effects on human immunodeficiency virus type 1 (HIV-1) protease. Kusumoto I.T., Nakabayashi T., Kida H., Miyashiro H., Hattori M., Namba T. and Shimotohno K., PTR. Phytotherapy research, 1995, vol. 9, no3, pp. 180-184, INIST 3499215

[1]

Names

IUPAC name [(2R,3R,4R)-Flavan-3,3′,4′,5,7-pentol]-(4→8)-[(2R,3R,4S)-flavan-3,3′,4′,5,7-pentol]-(4→6)-[(2R,3S)-flavan-3,3′,4′,5,7-pentol]
Systematic IUPAC name (1²R,1³R,1⁴R,2²R,2³R,2⁴S,3²R,3³S)-1²,2²,3²-Tris(3,4-dihydroxyphenyl)-1³,1⁴,2³,2⁴,3³,3⁴-hexahydro-1²H,2²H,3²H-[1⁴,2⁸:2⁴,3⁶-ter-1-benzopyran]-1³,1⁵,1⁷,2³,2⁵,2⁷,3³,3⁵,3⁷-nonol
Other names Epicatechin-(4β→8)-epicatechin-(4β→6)-catechin
Identifiers
CAS Number	79763-28-3^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:75642^N
ChemSpider	10290128^Y
KEGG	C17892
PubChem CID	14237657
UNII	3S8S4BYC2M^Y
CompTox Dashboard (EPA)	DTXSID40557801
InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1^Y Key: PBYRKMXDROOXMU-XKDUFCMJSA-N^Y InChI=1/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1 Key: PBYRKMXDROOXMU-XKDUFCMJBX
SMILES Oc1ccc(cc1O)[C@H]9Oc2cc(O)cc(O)c2[C@H](c8c(O)cc(O)c3c8O[C@@H]([C@H](O)[C@H]3c6c(O)cc5O[C@H](c4ccc(O)c(O)c4)[C@@H](O)Cc5c6O)c7ccc(O)c(O)c7)[C@H]9O
Properties
Chemical formula	C₄₅H₃₈O₁₈
Molar mass	866.77 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references