Cas no 64963-56-0 (3,7-Di-O-beta-glucopyranoside-Delphinidin)
64963-56-0 structure
Product Name:3,7-Di-O-beta-glucopyranoside-Delphinidin
CAS No:64963-56-0
MF:C27H31O17
MW:627.524850130081
CID:2020217
Update Time:2025-04-21
3,7-Di-O-beta-glucopyranoside-Delphinidin Chemical and Physical Properties
Names and Identifiers
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- 3,7-Di-O-beta-glucopyranoside-Delphinidin
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- Inchi： 1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1
- InChI Key： JVROXMCODLRLLV-UHFFFAOYSA-O
- SMILES： OCC1C(O)C(O)C(O)C(OC2C=C3C(C=C(C(C4C=C(O)C(O)=C(O)C=4)=[O+]3)OC3C(O)C(O)C(O)C(CO)O3)=C(O)C=2)O1
Computed Properties
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 44
- XLogP3: -1.606
3,7-Di-O-beta-glucopyranoside-Delphinidin Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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