Cas no 67119-95-3 ((5S,10S)-abieta-9,11,13-trien-14-ol)
67119-95-3 structure
Product Name:(5S,10S)-abieta-9,11,13-trien-14-ol
CAS No:67119-95-3
MF:C20H30O
MW:286.451606273651
CID:1996039
PubChem ID:11266161
Update Time:2025-04-21
(5S,10S)-abieta-9,11,13-trien-14-ol Chemical and Physical Properties
Names and Identifiers
-
- (5S,10S)-abieta-9,11,13-trien-14-ol
- 14-hydroxy-dehydroabietane
- 14-hydroxyabieta-8,11,13-triene
- 14-hydroxydehydroabietane
- abieta-8,11,13-trien-14-ol
- 67119-95-3
-
- Inchi： 1S/C20H30O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,9,13,17,21H,6,8,10-12H2,1-5H3
- InChI Key： HOJWCCXHGGCJQV-UHFFFAOYSA-N
- SMILES： CC(C1C(O)=C2CCC3C(C2=CC=1)(C)CCCC3(C)C)C
Computed Properties
- Exact Mass: 286.229665576Da
- Monoisotopic Mass: 286.229665576Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 385
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.7
- Topological Polar Surface Area: 20.2?2
(5S,10S)-abieta-9,11,13-trien-14-ol Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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