Cas no 514-89-6 (e,y-Carotene, 7',8'-dihydro-, (6R)-)
514-89-6 structure
Product Name:e,y-Carotene, 7',8'-dihydro-, (6R)-
e,y-Carotene, 7',8'-dihydro-, (6R)- Chemical and Physical Properties
Names and Identifiers
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- e,y-Carotene, 7',8'-dihydro-, (6R)-
- B-ZEACAROTENE
- CID 170884
- 514-89-6
- 4,5-Didehydro-5,6,7',8'-tetrahydro-beta,psi-carotene
- (6R)-6-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaenyl)-1,5,5-trimethylcyclohexene
- DTXSID70965713
-
- Inchi： 1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/t39-/m0/s1
- InChI Key： IGABZIVJSNQMPZ-KDXMTYKHSA-N
- SMILES： C1(C)(C)CCC=C(C)[C@@H]1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CC/C=C(\C)/C)C)C
Computed Properties
- Exact Mass: 538.454
- Monoisotopic Mass: 538.454
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 40
- Rotatable Bond Count: 14
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- XLogP3: 14.6
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Density: 0.904
- Boiling Point: 638°Cat760mmHg
- Flash Point: 339.2°C
e,y-Carotene, 7',8'-dihydro-, (6R)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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