Cas no 115075-53-1 (6β-hydroxyloganin)
6β-hydroxyloganin structure
Product Name:6β-hydroxyloganin
CAS No:115075-53-1
MF:C17H26O11
MW:406.381746768951
CID:2015592
PubChem ID:3370704
Update Time:2025-04-21
6β-hydroxyloganin Chemical and Physical Properties
Names and Identifiers
-
- 5-deoxypulchelloside
- 6β-hydroxyloganin
- 5-deoxypulchelloside I 6beta-hydroxyloganin
- 115075-53-1
- DA-70190
-
- Inchi： 1S/C17H26O11/c1-5-8-9(12(21)10(5)19)6(15(24)25-2)4-26-16(8)28-17-14(23)13(22)11(20)7(3-18)27-17/h4-5,7-14,16-23H,3H2,1-2H3
- InChI Key： QDEYKGKBMCIYCT-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C2C(C(C(C)C2C1OC1C(C(C(C(CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 406.14751164g/mol
- Monoisotopic Mass: 406.14751164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 610
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 11
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.4
- Topological Polar Surface Area: 175?2
6β-hydroxyloganin Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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