Cas no 28387-62-4 (1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)-)
28387-62-4 structure
Product Name:1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)-
CAS No:28387-62-4
MF:C15H22O
MW:218.334584712982
CID:272212
Update Time:2025-04-19
1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)-
- Cedr-8-en-15-al
- (3R-(3alpha,3abeta,7beta,8aalpha))-2,3,4,7,8,8a-Hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-carboxaldehyde
-
- Inchi： 1S/C15H22O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,9-10,12-13H,4-5,7-8H2,1-3H3
- InChI Key： OETRFUZAVAFOBR-UHFFFAOYSA-N
- SMILES： CC1C23C(C(C(C(C=O)=CC2)C3)(C)C)CC1
Computed Properties
- Exact Mass: 218.167065
- Monoisotopic Mass: 218.167065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 1.02
- Boiling Point: 310.4°Cat760mmHg
- Flash Point: 129°C
- Refractive Index: 1.526
1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
28387-62-4 (1H-3a,7-Methanoazulene-6-carboxaldehyde,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, (3R,3aS,7R,8aS)-) Related Products
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