Cas no 4029-64-5 (Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)-)
4029-64-5 structure
Product Name:Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)-
CAS No:4029-64-5
MF:C26H34O5
MW:426.545168399811
CID:329601
PubChem ID:282303
Update Time:2025-04-19
Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)- Chemical and Physical Properties
Names and Identifiers
-
- Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)-
- bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-, (3beta,5beta,8xi,9xi,15beta)-
- resibufogenin acetate
- 3-(acetyloxy)-14,15-epoxybufa-20,22-dienolide
- NSC-135688
- NSC135688
- 4029-64-5
- Acetylresibufogenin
- Neuro_000068
- DTXSID10960722
- NCI60_000797
-
- Inchi： 1S/C26H34O5/c1-15(27)30-18-8-10-24(2)17(12-18)5-6-20-19(24)9-11-25(3)21(13-22-26(20,25)31-22)16-4-7-23(28)29-14-16/h4,7,14,17-22H,5-6,8-13H2,1-3H3
- InChI Key： PYQLJWZNYPKLBI-UHFFFAOYSA-N
- SMILES： O1C2CC(C3=COC(C=C3)=O)C3(C)CCC4C5(C)CCC(CC5CCC4C132)OC(C)=O
Computed Properties
- Exact Mass: 426.241
- Monoisotopic Mass: 426.241
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 31
- Rotatable Bond Count: 3
- Complexity: 890
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 65.1A^2
- XLogP3: 4.3
Experimental Properties
- Density: 1.23
- Boiling Point: 558.2°Cat760mmHg
- Flash Point: 240°C
- Refractive Index: 1.581
Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)- Security Information
- Hazardous Material transportation number：UN 3172
- Packing Group：II
- Hazard Level：6.1(a)
- HazardClass：6.1(a)
- PackingGroup：II
Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Bufanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bufanolides and derivatives
4029-64-5 (Bufa-20,22-dienolide,3-(acetyloxy)-14,15-epoxy-, (3b,5b,15b)-) Related Products
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
