Cas no 136266-34-7 (1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI))
![1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI) structure](https://ossimg.kuujia.com/scimg/136500/136266-34-7x500.png)
136266-34-7 structure
Product Name:1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI)
CAS No:136266-34-7
MF:C18H28O8
MW:372.410126686096
CID:176510
PubChem ID:131944
Update Time:2025-04-19
1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI)
- (3R,5R)-8-Decyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane -4-carboxylic acid
- 1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (...
- cinatrin B
- 1,7-Dioxaspiro(4.4)nonane-4-carboxylic acid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R-(3alpha,4beta,5beta(R*)))-
- 136266-34-7
- DTXSID80929306
- (3R,5R)-8-DECYL-3,4-DIHYDROXY-2,6-DIOXO-1,7-DIOXASPIRO[4.4]NONANE-4-CARBOXYLIC ACID
- 8-Decyl-3,4-dihydroxy-2,6-dioxo-1,7-dioxaspiro[4.4]nonane-4-carboxylic acid
-
- Inchi： 1S/C18H28O8/c1-2-3-4-5-6-7-8-9-10-12-11-17(16(23)25-12)18(24,15(21)22)13(19)14(20)26-17/h12-13,19,24H,2-11H2,1H3,(H,21,22)/t12?,13-,17-,18?/m0/s1
- InChI Key： QUSVCUTZGWKBQJ-ZVRZEWSUSA-N
- SMILES： O1C([C@@H](C(C(=O)O)([C@@]21C(=O)OC(CCCCCCCCCC)C2)O)O)=O
Computed Properties
- Exact Mass: 372.17844
- Monoisotopic Mass: 372.178418
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 547
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 130
- XLogP3: 3.6
Experimental Properties
- Density: 1.3
- Boiling Point: 594.3°Cat760mmHg
- Flash Point: 210.2°C
- Refractive Index: 1.543
- PSA: 130.36
- LogP: 1.30490
1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI) Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
136266-34-7 (1,7-Dioxaspiro[4.4]nonane-4-carboxylicacid, 8-decyl-3,4-dihydroxy-2,6-dioxo-, (3R,4R,5S,8R)- (9CI)) Related Products
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