Cas no 1238-98-8 (1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)-)
![1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)- structure](https://ossimg.kuujia.com/scimg/1500/1238-98-8x500.png)
1238-98-8 structure
Product Name:1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)-
CAS No:1238-98-8
MF:C21H30O3
MW:330.461106777191
CID:117540
PubChem ID:14109705
Update Time:2025-04-18
1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)-
- 5beta,9betaH,10alpha-Labda-8(20),13(16),14-trien-18-oic acid, 15,16-ep oxy-, methyl ester
- lambertianic acid methyl ester
- (5β,9α,10α)-15,16-Epoxylabda-8(17),13(16),14-trien-18-oic acid methyl ester
- Daniellic acid methyl
- 1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1R,4aS,5R,8aS)-
- 1238-98-8
- Methyl (1R,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
-
- Inchi： 1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18+,20+,21-/m1/s1
- InChI Key： DCZZBGIVZGGJDO-YXYSEUPNSA-N
- SMILES： O(C)C([C@]1(C)CCC[C@@]2(C)[C@H](CCC3=COC=C3)C(=C)CC[C@@H]21)=O
Computed Properties
- Exact Mass: 330.2196
- Monoisotopic Mass: 330.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 499
- 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: 5.2
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
- LogP: 5.16410
1-Naphthalenecarboxylicacid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester,(1R,4aS,5R,8aS)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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