Cas no 33596-80-4 (2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid)
![2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid structure](https://ossimg.kuujia.com/scimg/34000/33596-80-4x500.png)
33596-80-4 structure
Product Name:2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid
CAS No:33596-80-4
MF:C15H22O3
MW:250.333384990692
CID:1459019
PubChem ID:186172
Update Time:2025-04-20
2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid
- (2S,4aα)-Decahydro-8α,8aα-dimethyl-α-methylene-4-oxo-2α-naphthaleneacetic acid
- 2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxo-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]prop-2-enoic acid
- 33596-80-4
- Flourensic acid
- (+)-Flourensic acid
- DTXSID50187294
- 7xi-Eremophil-11(13)-en-12-oic acid, 9-oxo-
- 9-Oxo-7xi-eremophil-11(13)-en-12-oic acid
-
- Inchi： 1S/C15H22O3/c1-9-5-4-6-12-13(16)7-11(8-15(9,12)3)10(2)14(17)18/h9,11-12H,2,4-8H2,1,3H3,(H,17,18)/t9-,11+,12+,15+/m0/s1
- InChI Key： JCJJVXVYFHWGRJ-AYIJCJCZSA-N
- SMILES： O=C1C[C@@H](C(=C)C(=O)O)C[C@]2(C)[C@@H](C)CCC[C@@H]21
Computed Properties
- Exact Mass: 250.15696
- Monoisotopic Mass: 250.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 399
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.089
- Boiling Point: 408.1°C at 760 mmHg
- Flash Point: 214.8°C
- Refractive Index: 1.508
- PSA: 54.37
2-[(2S,4aS,8S,8aR)-8,8a-dimethyl-4-oxodecahydronaphthalen-2-yl]prop-2-enoic acid Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
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