Cas no 36804-95-2 (deoxyharringtonine)
deoxyharringtonine structure
Product Name:deoxyharringtonine
CAS No:36804-95-2
MF:C28H37NO8
MW:515.595288991928
CID:311046
PubChem ID:285342
Update Time:2025-04-19
deoxyharringtonine Chemical and Physical Properties
Names and Identifiers
-
- deoxyharringtonine
- (2R)-2-Hydroxy-2-(methoxycarbonyl)methyl-5-methylhexanoic acid (1S,3aR)-1,5,6,8,9,14bβ-hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-yl ester
- Cephalotaxine,3-[4-methyl (2R)-2-hydroxy-2-(3-methylbutyl)butanedioate]
- (-)-deoxyharringtonine
- CHEMBL297877
- 36804-95-2
- SCHEMBL146019
- NSC-142196
- NSC142196
- HY-133900
- CS-0135026
- DTXSID401315969
- 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-methylbutyl)butanedioate
- Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-methylbutyl)butanedioate (ester), (3(R))-
- 3(R)-Deoxyharringtonine
- NSC 142196
- Cephalotaxine, 4-methyl-2-hydroxy-2-(3-methylbutyl)butanedioate (ester), (3(R))-
-
- Inchi： 1S/C28H37NO8/c1-17(2)6-9-28(32,15-23(30)34-4)26(31)37-25-22(33-3)14-27-8-5-10-29(27)11-7-18-12-20-21(36-16-35-20)13-19(18)24(25)27/h12-14,17,24-25,32H,5-11,15-16H2,1-4H3/t24-,25?,27?,28+/m1/s1
- InChI Key： WRCBXHDQHPUVHW-KBXBIZAPSA-N
- SMILES： O(C([C@@](CC(=O)OC)(CCC(C)C)O)=O)C1C(=CC23CCCN2CCC2C=C4C(=CC=2[C@@H]31)OCO4)OC
Computed Properties
- Exact Mass: 515.25200
- Monoisotopic Mass: 515.252
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 37
- Rotatable Bond Count: 10
- Complexity: 907
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.3
- Boiling Point: 645.8°Cat760mmHg
- Flash Point: 344.4°C
- Refractive Index: 1.595
- PSA: 103.76000
- LogP: 3.01360
deoxyharringtonine Related Literature
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Hajer Abdelkafi,Bastien Nay Nat. Prod. Rep. 2012 29 845
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Michal Szostak,Malcolm Spain,David J. Procter Chem. Soc. Rev. 2013 42 9155
-
Elizabeth A. Ilardi,Craig E. Stivala,Armen Zakarian Chem. Soc. Rev. 2009 38 3133
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Xi Lv,Zhiying Xu,Guangyu Xu,He Li,Chunmei Wang,Jianguang Chen,Jinghui Sun Food Funct. 2020 11 3032
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5. Synthesis highlightsLuke A. Baker,Richard S. Grainger Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 2007 103 140
36804-95-2 (deoxyharringtonine) Related Products
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