Cas no 92280-14-3 (3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone)
![3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone structure](https://ossimg.kuujia.com/scimg/92500/92280-14-3x500.png)
92280-14-3 structure
Product Name:3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone
CAS No:92280-14-3
MF:C37H66O8
MW:638.915153026581
CID:1971985
PubChem ID:162945902
Update Time:2025-04-21
3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone Chemical and Physical Properties
Names and Identifiers
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- 3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone
- DTXSID401043964
- 92280-14-3
-
- Inchi： 1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33+,34+,35+,36+/m0/s1
- InChI Key： HKMBLJVHVBJAIH-KWENDKABSA-N
- SMILES： O1[C@@H]([C@H](CCCCCCCCCC)O)CC[C@@H]1[C@@H](CC[C@@H]([C@H]1CC[C@H](CCCCCCC[C@H](CC2C(=O)O[C@@H](C)C=2)O)O1)O)O
Computed Properties
- Exact Mass: 638.47576906g/mol
- Monoisotopic Mass: 638.47576906g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 45
- Rotatable Bond Count: 25
- Complexity: 833
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.2
- Topological Polar Surface Area: 126?2
3-[14-Hydroxy-14-[octahydro-5'-(1,4,7-trihydroxydecyl)[2,2'-bifuran]-5-yl]tetradecyl]-5-methyl-2(5H)-furanone Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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