Cas no 71641-12-8 (7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one)
![7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one structure](https://ossimg.kuujia.com/scimg/72000/71641-12-8x500.png)
71641-12-8 structure
Product Name:7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one
CAS No:71641-12-8
MF:C22H30O4
MW:358.471207141876
CID:859565
PubChem ID:324878
Update Time:2025-04-19
7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one
- Calyenone
- [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
- AC1L8AXG
- CTK9A2301
- NSC291849
- NSC-291849
- 71641-12-8
- DTXSID00315080
- 5-[2-(Furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl acetate
-
- Inchi： 1S/C22H30O4/c1-14-17(7-6-16-9-11-25-13-16)22(5)10-8-20(26-15(2)23)21(3,4)19(22)12-18(14)24/h9,11,13,19-20H,6-8,10,12H2,1-5H3
- InChI Key： WDMYWPSUQZKSFN-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C(CCC3=COC=C3)=C(C)C(CC2C1(C)C)=O
Computed Properties
- Exact Mass: 358.2145
- Monoisotopic Mass: 358.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 618
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 56.51
7-Acetoxy-4-[2-(3-furyl)ethyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethylnaphthalen-2(1H)-one Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Colensane and clerodane diterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Colensane and clerodane diterpenoids
- Natural Products and Extracts Plant Extracts Plant based Roylea cinerea
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