Cas no 514-76-1 (Astacene)
Astacene structure
Product Name:Astacene
CAS No:514-76-1
MF:C40H48O4
MW:592.806732177734
CID:376606
PubChem ID:20054842
Update Time:2025-04-19
Astacene Chemical and Physical Properties
Names and Identifiers
-
- b,b-Carotene-3,3',4,4'-tetrone
- ASTACENE
- β,β-Carotene-3,3',4,4'-tetrone
- 3,4,3',4'-Tetraketo-b-carotene
- astacin
- LogP
- .BETA.,.BETA.-CAROTENE-3,3',4,4'-TETRONE
- beta,beta-Carotene-3,3',4,4'-tetrone
- RASZIXQTZOARSV-QISQUURKSA-N
- 1JRM9Z96G0
- 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3,4-dioxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-ene-1,2-dione
- 3,3'-Dihydroxy-2,3,2',3'-tetradehydro-beta,beta-carotene-4,4'-dione
- SCHEMBL76100
- Q4810499
- ASTACIN [MI]
- UNII-1JRM9Z96G0
- CHEBI:35327
- ALL-TRANS-.BETA.-CAROTENE-3,3',4,4'-TETRONE
- 514-76-1
- Astacene
-
- Inchi： 1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
- InChI Key： RASZIXQTZOARSV-QISQUURKSA-N
- SMILES： O=C1C(C(C)=C(/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C(C(CC2(C)C)=O)=O)/C)C(C)(C)C1)=O
Computed Properties
- Exact Mass: 354.146724
- Monoisotopic Mass: 354.146724
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 835
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.7
- XLogP3: 9.8
Experimental Properties
- Density: 1.065
- Melting Point: 240-243° (slow heating in evac tube, Karrer); mp 228° (Kuhn)
- Boiling Point: 735.9°Cat760mmHg
- Flash Point: 298.3°C
- Refractive Index: 1.585
- PSA: 68.28000
- LogP: 9.32180
Astacene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A788705-1mg |
Astacene |
514-76-1 | 1mg |
$ 190.00 | 2023-04-19 | ||
| TRC | A788705-10mg |
Astacene |
514-76-1 | 10mg |
$ 1499.00 | 2023-04-19 |
Astacene Related Literature
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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