Violdelphin

Violdelphin
Names
	IUPAC name 3′,4′,5,5′-Tetrahydroxy-7-(6-O-{4-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]benzoyl}-β-D-glucopyranosyloxy)-3-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyloxy]flavylium
	Systematic IUPAC name (12R,13R,14R,15R,16S,42R,43S,44S,45R,46S,82S,83R,84S,85S,86R,142S,143R,144S,145S,146R)-13,14,15,43,44,45,65,83,84,85,143,144,145,184-Tetradecahydroxy-16-methyl-11,17-dioxo-62-(3,4,5-trihydroxyphenyl)-2,5,7,10,13,16-hexaoxa-61λ4-6(3,7)-[1]benzopyrana-1(2),4,8,14(2,6)-tetrakis(oxana)-12(1,4),18(1)-dibenzenaoctadecaphan-61-ylium
	Other names Delphinidin 3-rutinoside-7-O-(6-O-(4-(6-O-(4-hydroxybenzoyl)-beta-D-glucosyl)oxybenzoyl)-beta-D-glucoside)
Identifiers
CAS Number	126417-59-2;
3D model (JSmol)	Interactive image;
ChemSpider	2340380;
PubChem CID	3083066;
CompTox Dashboard (EPA)	DTXSID80155183 ;
	InChI InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1 Key: YODABPUZPVYDEF-CIBWSIAMSA-O;
	SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)OC5C(C(C(C(O5)COC(=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)COC(=O)C8=CC=C(C=C8)O)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O)O)O)O)O)O;
Properties
Chemical formula	C53H59O30+
Molar mass	1176.02 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Violdelphin is an anthocyanin, a plant pigment, has been found in the purplish blue flower of Aconitum chinense,^[1] in the blue flowers in the genus Campanula^[2] and in the blue flowers of Delphinium hybridum.^[3] It is a flavenoid natural product, incorporating two p-hydroxy benzoic acid residues, one rutinoside and two glucosides associated with a delphinidin.

References

^ The anthocyanin responsible for purplish blue flower colour of Aconitum chinense. Kosaku Takeda, Syuji Sato, Hiromitsu Kobayashi, Yoko Kanaitsuka, Mariko Ueno, Takeshi Kinoshita, Hiroyuki Tazaki and Takane Fujimori, Phytochemistry, June 1994, Volume 36, Issue 3, Pages 613–616, doi:10.1016/S0031-9422(00)89784-8
^ Structure and biosynthesis of anthocyanins in flowers of Campanula. Kirsten Brandt, Tadao Kondo, Hideki Aoki and Toshio Goto, Phytochemistry, 29 April 1993, Volume 33, Issue 1, Pages 209–212, doi:10.1016/0031-9422(93)85424-P
^ Structure of Violdelphin, an Anthocyanin from Violet Flower of Delphinium hybridum. Tadao Kondo, Kaori Oki, Kumi Yoshida and Toshio Goto, Chemistry Letters,1990, Vol. 19, No. 1, pages 137-138, doi:10.1246/cl.1990.137

[1] The anthocyanin responsible for purplish blue flower colour of Aconitum chinense. Kosaku Takeda, Syuji Sato, Hiromitsu Kobayashi, Yoko Kanaitsuka, Mariko Ueno, Takeshi Kinoshita, Hiroyuki Tazaki and Takane Fujimori, Phytochemistry, June 1994, Volume 36, Issue 3, Pages 613–616, doi:10.1016/S0031-9422(00)89784-8

[2] Structure and biosynthesis of anthocyanins in flowers of Campanula. Kirsten Brandt, Tadao Kondo, Hideki Aoki and Toshio Goto, Phytochemistry, 29 April 1993, Volume 33, Issue 1, Pages 209–212, doi:10.1016/0031-9422(93)85424-P

[3] Structure of Violdelphin, an Anthocyanin from Violet Flower of Delphinium hybridum. Tadao Kondo, Kaori Oki, Kumi Yoshida and Toshio Goto, Chemistry Letters,1990, Vol. 19, No. 1, pages 137-138, doi:10.1246/cl.1990.137

[1]

[2]

[3]

Names

IUPAC name 3′,4′,5,5′-Tetrahydroxy-7-(6-O-{4-[6-O-(4-hydroxybenzoyl)-β-D-glucopyranosyloxy]benzoyl}-β-D-glucopyranosyloxy)-3-[α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranosyloxy]flavylium
Systematic IUPAC name (1²R,1³R,1⁴R,1⁵R,1⁶S,4²R,4³S,4⁴S,4⁵R,4⁶S,8²S,8³R,8⁴S,8⁵S,8⁶R,14²S,14³R,14⁴S,14⁵S,14⁶R)-1³,1⁴,1⁵,4³,4⁴,4⁵,6⁵,8³,8⁴,8⁵,14³,14⁴,14⁵,18⁴-Tetradecahydroxy-1⁶-methyl-11,17-dioxo-6²-(3,4,5-trihydroxyphenyl)-2,5,7,10,13,16-hexaoxa-6¹λ⁴-6(3,7)-[1]benzopyrana-1(2),4,8,14(2,6)-tetrakis(oxana)-12(1,4),18(1)-dibenzenaoctadecaphan-6¹-ylium
Other names Delphinidin 3-rutinoside-7-O-(6-O-(4-(6-O-(4-hydroxybenzoyl)-beta-D-glucosyl)oxybenzoyl)-beta-D-glucoside)
Identifiers
CAS Number	126417-59-2
3D model (JSmol)	Interactive image
ChemSpider	2340380
PubChem CID	3083066
CompTox Dashboard (EPA)	DTXSID80155183
InChI InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1 Key: YODABPUZPVYDEF-CIBWSIAMSA-O
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)OC5C(C(C(C(O5)COC(=O)C6=CC=C(C=C6)OC7C(C(C(C(O7)COC(=O)C8=CC=C(C=C8)O)O)O)O)O)O)O)C9=CC(=C(C(=C9)O)O)O)O)O)O)O)O)O
Properties
Chemical formula	C₅₃H₅₉O₃₀+
Molar mass	1176.02 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Violdelphin

References

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