Cas no 27637-71-4 (Loroxanthin)
Loroxanthin structure
Product Name:Loroxanthin
CAS No:27637-71-4
MF:C40H56O3
MW:584.870852470398
CID:281128
PubChem ID:16061271
Update Time:2024-03-01
Loroxanthin Chemical and Physical Properties
Names and Identifiers
-
- b,e-Carotene-3,3',19-triol, (3R,3'R,6'R)-
- 4',5'-didehydro-5',6'-dihydro-β,β-carotene-3,3',19-triol
- b,e-Carotene-3,19,3'-triol
- LogP
- β,β-carotene-3,3',19-triol, 4',5'-didehydro-5',6'-dihydro-
- loroxanthin
- Loroxanthin/ 19-Hydroxylutein
- Q63398269
- 19-hydroxy-lutein
- ODGGKCNQKSEQNL-CWBMHJDKSA-N
- LMPR01070156
- 27637-71-4
- DTXSID201345685
- (3R,3'R,6'R)-beta,epsilon-Carotene-3,3',19-triol
- Loroxanthin
-
- Inchi： 1S/C40H56O3/c1-29(16-12-17-31(3)20-22-37-32(4)24-35(42)26-39(37,6)7)14-10-11-15-30(2)18-13-19-34(28-41)21-23-38-33(5)25-36(43)27-40(38,8)9/h10-24,35-37,41-43H,25-28H2,1-9H3/b11-10+,16-12+,18-13+,22-20+,23-21+,29-14+,30-15+,31-17+,34-19-/t35-,36+,37-/m0/s1
- InChI Key： ODGGKCNQKSEQNL-CWBMHJDKSA-N
- SMILES： O[C@H]1C=C(C)[C@H](/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\CO)/C=C/C2=C(C)C[C@H](CC2(C)C)O)/C)/C)C(C)(C)C1
Computed Properties
- Exact Mass: 584.42294564g/mol
- Monoisotopic Mass: 584.42294564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 43
- Rotatable Bond Count: 11
- Complexity: 1290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 9
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7
- XLogP3: 9.8
Loroxanthin Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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