Cas no 79813-67-5 (Catechin(4alpha?8)epicatechin(4beta?8)catechin)
79813-67-5 structure
Product Name:Catechin(4alpha?8)epicatechin(4beta?8)catechin
CAS No:79813-67-5
MF:C45H38O18
MW:866.772434711456
CID:2069699
Update Time:2025-04-21
Catechin(4alpha?8)epicatechin(4beta?8)catechin Chemical and Physical Properties
Names and Identifiers
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- Catechin(4alpha?8)epicatechin(4beta?8)catechin
- catechin-(4alpha->8)-epicatechin-(4beta->8)-catechin
- Proanthocyanidin C1
- Cinnamtannin A1
- (-)-Epicatechin (4?-8)-(-)-epicatechin (4?-8)-(-)-epicatechin
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- Inchi： 1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2
- InChI Key： MOJZMWJRUKIQGL-UHFFFAOYSA-N
- SMILES： OC1C(C2C=C(O)C(O)=CC=2)OC2C(=C(C=C(C=2C2C3C(=C(C(=CC=3O)O)C3C4C(=CC(=CC=4O)O)OC(C4C=C(O)C(O)=CC=4)C3O)OC(C3C=C(O)C(O)=CC=3)C2O)O)O)C1
Computed Properties
- Hydrogen Bond Donor Count: 15
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 63
- XLogP3: 1.134
Catechin(4alpha?8)epicatechin(4beta?8)catechin Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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2. 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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