Cas no 41059-95-4 (Dihydrofukinolid)
Dihydrofukinolid structure
Product Name:Dihydrofukinolid
CAS No:41059-95-4
MF:C22H32O6
MW:392.485887527466
CID:2021347
PubChem ID:78384824
Update Time:2025-04-21
Dihydrofukinolid Chemical and Physical Properties
Names and Identifiers
-
- Dihydrofukinolid
- DTXSID001099327
- 41059-95-4
- Butanoic acid, 2-methyl-, 3'-(acetyloxy)decahydro-7',7'a-dimethyl-4-methylene-2-oxospiro[furan-3(2H),2'-[2H]inden]-4'-yl ester, [2'R-[2'alpha,3'alpha,3'aalpha,4'beta(S*),7'alpha,7'aalpha]]-
- Dihydrofukinolide
- (3R,3'R,3a'R,4'S,7'S,7a'R)-3'-acetoxy-7',7a'-dimethyl-4-methylene-2-oxodecahydrospiro[furan-3,2'-inden]-4'-yl (2S)-2-methylbutanoate
- CHEBI:142257
- (3R,3'R,3a'R,4'S,7'S,7a'R)-3'-acetoxy-7',7a'-dimethyl-4-methylene-2-oxodecahydrospiro(furan-3,2'-inden)-4'-yl (2S)-2-methylbutanoate
- 3-(Acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro(indene-2,3'-oxolane)-4-yl 2-methylbutanoic acid
- ((2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro(3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane)-4-yl) (2S)-2-methylbutanoate
- [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (2S)-2-methylbutanoate
- 3-(Acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-4-yl 2-methylbutanoic acid
-
- Inchi： 1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3/t12-,13-,16-,17+,18+,21+,22+/m0/s1
- InChI Key： RLFYIIYBXGSPOM-OATMBDEBSA-N
- SMILES： O(C(C)=O)[C@H]1[C@@]2(C(=O)OCC2=C)C[C@]2(C)[C@@H](C)CC[C@@H]([C@@H]21)OC([C@@H](C)CC)=O
Computed Properties
- Exact Mass: 392.22
- Monoisotopic Mass: 392.22
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 699
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.9A^2
- XLogP3: 3.5
Dihydrofukinolid Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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