Tangshenoside I

Tangshenoside I
Identifiers
CAS Number	117278-74-7;
3D model (JSmol)	Interactive image;
ChemSpider	4945396;
PubChem CID	6441191;
UNII	9WKT543Z4X ;
	InChI InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1 Key: ABKPQICIFGNRAA-YCRPTBBLSA-N; InChI=1/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1 Key: ABKPQICIFGNRAA-YCRPTBBLBT;
	SMILES CC(CC(=O)O)(CC(=O)OC/C=C/c1cc(c(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O;
Properties
Chemical formula	C29H42O18
Molar mass	678.637 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tangshenoside I is a chemical compound isolated from Codonopsis pilosula.^[1] It can be considered a syringin molecule bound to meglutol glucoside.

References edit

^ Han, G; Wang, C; Su, X; He, X; Wang, Y; Kenji, M; Osamu, T (1990). "[Determination of tangshenoside I in Codonopsis pilosula Nannf. by TLC-UV spectrophotometric method]". Zhongguo Zhong Yao Za Zhi. 15 (9): 553–5, 577. PMID 2092716.

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[1] Han, G; Wang, C; Su, X; He, X; Wang, Y; Kenji, M; Osamu, T (1990). "[Determination of tangshenoside I in Codonopsis pilosula Nannf. by TLC-UV spectrophotometric method]". Zhongguo Zhong Yao Za Zhi. 15 (9): 553–5, 577. PMID 2092716.

[1]

Identifiers

CAS Number	117278-74-7
3D model (JSmol)	Interactive image
ChemSpider	4945396
PubChem CID	6441191
UNII	9WKT543Z4X^Y
InChI InChI=1S/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1 Key: ABKPQICIFGNRAA-YCRPTBBLSA-N InChI=1/C29H42O18/c1-29(9-18(32)33,47-28-25(40)23(38)21(36)17(12-31)45-28)10-19(34)43-6-4-5-13-7-14(41-2)26(15(8-13)42-3)46-27-24(39)22(37)20(35)16(11-30)44-27/h4-5,7-8,16-17,20-25,27-28,30-31,35-40H,6,9-12H2,1-3H3,(H,32,33)/b5-4+/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28+,29?/m1/s1 Key: ABKPQICIFGNRAA-YCRPTBBLBT
SMILES CC(CC(=O)O)(CC(=O)OC/C=C/c1cc(c(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Properties
Chemical formula	C₂₉H₄₂O₁₈
Molar mass	678.637 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references