Cas no 58947-97-0 (beta-Citrauriren(8'-apo-beta-caroten-3-ol))
58947-97-0 structure
Product Name:beta-Citrauriren(8'-apo-beta-caroten-3-ol)
CAS No:58947-97-0
MF:C30H42O
MW:418.65388917923
CID:2012526
PubChem ID:90429320
Update Time:2025-04-21
beta-Citrauriren(8'-apo-beta-caroten-3-ol) Chemical and Physical Properties
Names and Identifiers
-
- beta-Citrauriren(8'-apo-beta-caroten-3-ol)
- (R)-3,5,5-Trimethyl-4-[(3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octenyl]-3-cyclohexen-1-ol
- CHEBI:175354
- (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol
- DTXSID101102612
- beta-Citraurinene
- SCHEMBL16063095
- 3-Cyclohexen-1-ol, 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl]-, (1R)-
- 58947-97-0
-
- Inchi： 1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14+,25-15+,26-18+/t28-/m1/s1
- InChI Key： GKMHSJYLRXLVRG-QZMSTDJESA-N
- SMILES： O[C@@H]1CC(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C)/C)/C)C(C)(C)C1
Computed Properties
- Exact Mass: 418.323565959g/mol
- Monoisotopic Mass: 418.323565959g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 869
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 7
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.5
- Topological Polar Surface Area: 20.2?2
beta-Citrauriren(8'-apo-beta-caroten-3-ol) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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