Cas no 23044-72-6 (Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)-)
23044-72-6 structure
Product Name:Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)-
CAS No:23044-72-6
MF:C26H34O8
MW:474.543368816376
CID:277257
PubChem ID:282020
Update Time:2025-04-19
Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)- Chemical and Physical Properties
Names and Identifiers
-
- Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)-
- 3β-(Acetyloxy)-1β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide
- BERSALDEGENIN 3-ACETATE
- bersaldegenin-3-acetate
- Bersaldegenin-3-O-acetate
- NSC135076
- 3-(acetyloxy)-1,5,14-trihydroxy-19-oxobufa-20,22-dienolide
- NSC-135076
- DTXSID20945727
- 23044-72-6
-
- Inchi： 1S/C26H34O8/c1-15(28)34-17-11-21(29)25(14-27)19-5-8-23(2)18(16-3-4-22(30)33-13-16)7-10-26(23,32)20(19)6-9-24(25,31)12-17/h3-4,13-14,17-21,29,31-32H,5-12H2,1-2H3
- InChI Key： BSHOWDODIUWLNU-UHFFFAOYSA-N
- SMILES： OC12CCC(C3=COC(C=C3)=O)C1(C)CCC1C3(C=O)C(CC(CC3(CCC21)O)OC(C)=O)O
Computed Properties
- Exact Mass: 474.22500
- Monoisotopic Mass: 474.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 972
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 130A^2
- XLogP3: 1.3
Experimental Properties
- Density: 1.36
- Boiling Point: 651°Cat760mmHg
- Flash Point: 217.3°C
- Refractive Index: 1.611
- PSA: 134.27000
- LogP: 2.07740
Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| PhytoLab | 86779-50mg |
Bersaldegenin 3-acetate |
23044-72-6 | ≥ 90.0 % | 50mg |
€1485 | 2023-10-25 | |
| PhytoLab | 86779-250mg |
Bersaldegenin 3-acetate |
23044-72-6 | ≥ 90.0 % | 250mg |
€7012.5 | 2023-10-25 | |
| PhytoLab | 86779-500mg |
Bersaldegenin 3-acetate |
23044-72-6 | ≥ 90.0 % | 500mg |
€13200 | 2023-10-25 | |
| PhytoLab | 86779-1000mg |
Bersaldegenin 3-acetate |
23044-72-6 | ≥ 90.0 % | 1000mg |
€24750 | 2023-10-25 |
Bufa-20,22-dienolide,3-(acetyloxy)-1,5,14-trihydroxy-19-oxo-, (1b,3b,5b)- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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
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