Cas no 61289-05-2 (Ballotinone)
Ballotinone structure
Product Name:Ballotinone
CAS No:61289-05-2
MF:C20H26O5
MW:346.417446613312
CID:2674827
PubChem ID:21596426
Update Time:2024-02-29
Ballotinone Chemical and Physical Properties
Names and Identifiers
-
- (2aS,8aα,8bα)-6-[2-(3-Furyl)ethyl]decahydro-6α-hydroxy-2aα,5aβ,7α-trimethyl-2H-naphtho[1,8-bc]furan-2,8-dione
- Ballotinone
- VK82Y76H2J
- 7-Oxomarrubiin
- 2H-Naphtho(1,8-bc)furan-2,8(2ah)-dione, 6-(2-(3-furanyl)ethyl)octahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7S,8aS,8bR)-
- Q27291865
- SCHEMBL4460072
- 61289-05-2
- UNII-VK82Y76H2J
-
- Inchi： 1S/C20H26O5/c1-12-14(21)15-16-18(2,17(22)25-15)7-4-8-19(16,3)20(12,23)9-5-13-6-10-24-11-13/h6,10-12,15-16,23H,4-5,7-9H2,1-3H3/t12-,15-,16+,18+,19+,20-/m1/s1
- InChI Key： XOYLONZCXCRVKZ-XTDUBZMBSA-N
- SMILES： O1C([C@@]2(C)CCC[C@]3(C)[C@@](CCC4=COC=C4)([C@H](C)C([C@@H]1[C@H]32)=O)O)=O
Computed Properties
- Exact Mass: 346.17802393g/mol
- Monoisotopic Mass: 346.17802393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 603
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 76.7
- XLogP3: 2.9
Ballotinone Related Literature
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
61289-05-2 (Ballotinone) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
