Cas no 4029-68-9 ( )
structure
Product Name:
CAS No:4029-68-9
MF:C26H34O6
MW:442.544568538666
CID:925621
PubChem ID:282302
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3β-(Acetyloxy)-14,15β-epoxy-5-hydroxy-5β-bufa-20,22-dienolide
- Acetylmarinobufogenin
- 3'-O-Acetyl-5'-O-mesyl-thymidin
- 3'-O-acetyl-5'-O-triphenylmethylthymidine
- 3'-O-acetyl-5'-O-trityl thymidine
- 3'-O-acetyl-5'-O-trityl-thymidine
- 3-O-Acetyl-marinobufagin
- AC1L7FS7
- Acetylmarinobufagin
- NSC212204
- O3'-acetyl-O5'-methanesulfonyl-thymidine
- O3'-Acetyl-O5'-trityl-thymidin
- O3'-acetyl-O5'-trityl-thymidine
- Marinobufagin, 3-acetyl-
- 5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate
- NSC135687
- 3-.beta.,5-Dihydroxy-14,15-.beta.-epoxy-5-.beta.-bufa-20,22-dienolide 3-acetate
- Bufa-20, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-
- 5a-Hydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydronaphtho[1',2':6,7]indeno[1,7a-b]oxiren-7-yl acetate #
- DTXSID30960724
- NCI60_000796
- 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,5-dihydroxy-, 3-acetate
- 3-(acetyloxy)-5-hydroxy-14,15-epoxybufa-20,22-dienolide
- 4029-68-9
- SMEFDRPJDZWFRJ-UHFFFAOYSA-N
- NSC-135687
- Neuro_000067
- Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-5-hydroxy-, (3.beta.,5.beta.,15.beta.)-
- 5-.beta.-Bufa-20,22-dienolide, 3-.beta.,5-dihydroxy-14,15-.beta.-epoxy-, 3-acetate
-
-
- Inchi： 1S/C26H34O6/c1-15(27)31-17-6-9-23(2)18-7-10-24(3)20(16-4-5-22(28)30-14-16)12-21-26(24,32-21)19(18)8-11-25(23,29)13-17/h4-5,14,17-21,29H,6-13H2,1-3H3
- InChI Key： SMEFDRPJDZWFRJ-UHFFFAOYSA-N
- SMILES： O1C2CC(C3=COC(C=C3)=O)C3(C)CCC4C5(C)CCC(CC5(CCC4C132)O)OC(C)=O
Computed Properties
- Exact Mass: 442.23600
- Monoisotopic Mass: 442.23553880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 3
- Complexity: 939
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 85.4?2
Experimental Properties
- PSA: 89.27000
- LogP: 3.94400
Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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