Cas no 76907-78-3 (9H-Xanthen-9-one, 7-(b-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy-)
76907-78-3 structure
Product Name:9H-Xanthen-9-one, 7-(b-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy-
CAS No:76907-78-3
MF:C21H22O11
MW:450.392787456512
CID:566424
PubChem ID:5490799
Update Time:2025-04-19
9H-Xanthen-9-one, 7-(b-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 7-(b-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy-
- 1-hydroxy-3,4-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
- Veratriloside
- 1-hydroxy-7-O-beta-D-glucopyranosyl-3,4-dimethoxy-xanthone
- DTXSID30227708
- 9H-Xanthen-9-one, 7-(beta-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy-
- CHEMBL468010
- 76907-78-3
- 1-Hydroxy-7-O-beta-D-glucopyranosyl-3,4-dimethoxyxanthone
- DTXCID40150199
- 1-hydroxy-3,4-dimethoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-one
-
- Inchi： 1S/C21H22O11/c1-28-12-6-10(23)14-15(24)9-5-8(3-4-11(9)31-20(14)19(12)29-2)30-21-18(27)17(26)16(25)13(7-22)32-21/h3-6,13,16-18,21-23,25-27H,7H2,1-2H3/t13-,16-,17+,18-,21-/m1/s1
- InChI Key： AVZPRERNBNKYMD-GUFUGUNKSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC2=C(C(C3C(=CC(=C(C=3O2)OC)OC)O)=O)C=1
Computed Properties
- Exact Mass: 450.11600
- Monoisotopic Mass: 450.116212
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 662
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 164
- XLogP3: 0.9
Experimental Properties
- Density: 1.568
- Boiling Point: 781.2°C at 760 mmHg
- Flash Point: 275.8°C
- Refractive Index: 1.663
- PSA: 168.28000
- LogP: -0.15230
9H-Xanthen-9-one, 7-(b-D-glucopyranosyloxy)-1-hydroxy-3,4-dimethoxy- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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