Cas no 96400-43-0 (3-O-Rutinoside,5-O-beta-D-glucopyranoside-3,3',5-Trihydroxy-4',7-dimethoxyflavone)
96400-43-0 structure
Product Name:3-O-Rutinoside,5-O-beta-D-glucopyranoside-3,3',5-Trihydroxy-4',7-dimethoxyflavone
CAS No:96400-43-0
MF:C35H44O21
MW:800.711273193359
CID:2066079
Update Time:2025-04-21
3-O-Rutinoside,5-O-beta-D-glucopyranoside-3,3',5-Trihydroxy-4',7-dimethoxyflavone Chemical and Physical Properties
Names and Identifiers
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- 3-O-Rutinoside,5-O-beta-D-glucopyranoside-3,3',5-Trihydroxy-4',7-dimethoxyflavone
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- Inchi： 1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11-,18+,19+,21-,22+,23+,25+,26-,27-,28+,29+,30+,33+,34+,35-/m0/s1
- InChI Key： UOOULRKANCNCRM-QJJZTEDHSA-N
- SMILES： OC1C=C(C2OC3C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(OC)C=3)C(=O)C=2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C=CC=1OC
Computed Properties
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 21
- Heavy Atom Count: 56
- XLogP3: -2.096
3-O-Rutinoside,5-O-beta-D-glucopyranoside-3,3',5-Trihydroxy-4',7-dimethoxyflavone Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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