Cas no 79495-62-8 ((R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione)
![(R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione structure](https://ossimg.kuujia.com/scimg/79500/79495-62-8x500.png)
79495-62-8 structure
Product Name:(R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
CAS No:79495-62-8
MF:C24H30O5
MW:398.492007732391
CID:1800213
PubChem ID:49864150
Update Time:2025-04-21
(R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione Chemical and Physical Properties
Names and Identifiers
-
- (R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
- 79495-62-8
- CHEMBL1215535
- Deflectin 2a
- (6aR)-3,6a-Dimethyl-9-[(2S)-2-methyldecanoyl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
- CHEBI:199943
- DTXSID401336814
- (6aR)-3,6a-dimethyl-9-[(2S)-2-methyldecanoyl]uro[2,3-h]isochromene-6,8-dione
- (6aR)-3,6a-dimethyl-9-((2S)-2-methyldecanoyl)furo(2,3-h)isochromene-6,8-dione
- (6aR)-3,6a-dimethyl-9-[(2S)-2-methyldecanoyl]furo[2,3-h]isochromene-6,8-dione
-
- Inchi： 1S/C24H30O5/c1-5-6-7-8-9-10-11-15(2)22(26)20-21-18-14-28-16(3)12-17(18)13-19(25)24(21,4)29-23(20)27/h12-15H,5-11H2,1-4H3/t15-,24-/m0/s1
- InChI Key： HEDXHFZUZSYLJP-OWJWWREXSA-N
- SMILES： O1C(C(C([C@@H](C)CCCCCCCC)=O)=C2C3=COC(C)=CC3=CC([C@]12C)=O)=O
Computed Properties
- Exact Mass: 398.209
- Monoisotopic Mass: 398.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 29
- Rotatable Bond Count: 9
- Complexity: 855
- 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
- Topological Polar Surface Area: 69.7A^2
- XLogP3: 4.9
(R)-3,6a-Dimethyl-9-[(S)-2-methyl-1-oxodecyl]-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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