Cas no 149155-17-9 (1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI))
![1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI) structure](https://ossimg.kuujia.com/scimg/149500/149155-17-9x500.png)
149155-17-9 structure
Product Name:1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI)
CAS No:149155-17-9
MF:C21H30O14
MW:506.454508304596
CID:201597
Update Time:2024-03-01
1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI)
- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (
- 1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, [4aR-(4aa,5b,6a)]-
- Chironioside
- Chironiside
- Swertiamarin 6'-b-D-xylopyranoside
- 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI)
- (-)-Chironiside
-
- Inchi： 1S/C21H30O14/c1-2-8-18(31-5-9-17(28)30-4-3-21(8,9)29)35-20-16(27)14(25)13(24)11(34-20)7-33-19-15(26)12(23)10(22)6-32-19/h2,5,8,10-16,18-20,22-27,29H,1,3-4,6-7H2
- InChI Key： AQIOUKAPNHMCRS-UHFFFAOYSA-N
- SMILES： OC1C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3C(C=C)C4(C(C(OCC4)=O)=CO3)O)O2)OC1
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 35
- XLogP3: -2.694
1H,3H-Pyrano[3,4-c]pyran-1-one,5-ethenyl-4,4a,5,6-tetrahydro-4a-hydroxy-6-[(6-O-b-D-xylopyranosyl-b-D-glucopyranosyl)oxy]-, (4aR,5R,6S)- (9CI) Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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