Cas no 19662-71-6 (Deltoin)
Deltoin structure
Product Name:Deltoin
CAS No:19662-71-6
MF:C19H20O5
MW:328.359106063843
CID:222712
PubChem ID:906525
Update Time:2024-02-29
Deltoin Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methyl-,1-[(2S)-2,3-dihydro-7-oxo-7H-furo[3,2-g][1]benzopyran-2-yl]-1-methylethylester, (2E)-
- 2-Butenoic acid,2-methyl-,1-[(2S)-2,3-dihydro-7-oxo-7H-furo[3,2-g][1]benzopyran-2-yl]-1-methyl...
- deltoin
- (E)-2-Methyl-2-butenoic acid 1-[(S)-2,3-dihydro-7-oxo-7H-furo[3,2-g][1]benzopyran-2-yl]-1-methylethyl ester
- (-)-Deltoin
- H7ID2E493F
- Deloin
- Marmesin tiglate
- (-)-Sprengelianin
- MLS002472894
- HMS2198O06
- SMR001397005
- C17482
- A813920
- Q27155078
- 2-[(2S)-7-oxidanylidene-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl (E)-2-methylbut-2-enoate
- (E)-2-methyl-2-butenoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
- 2,3-Dihydro-2alpha-[1-methyl-1-(2-methyl-2-butenoyloxy)ethyl
- CHEMBL1443379
- BDBM50492398
- 2-BUTENOIC ACID, 2-METHYL-, 1-(2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (S-(E))-
- DTXSID101318302
- 2-BUTENOIC ACID, 2-METHYL-, 1-((2S)-2,3-DIHYDRO-7-OXO-7H-FURO(3,2-G)(1)BENZOPYRAN-2-YL)-1-METHYLETHYL ESTER, (2E)-
- 19662-71-6
- CHEBI:81122
- UNII-H7ID2E493F
- Deltoin
-
- Inchi： 1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)16-9-13-8-12-6-7-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/b11-5+/t16-/m0/s1
- InChI Key： HHNCJFKRMZDTHW-WQRDJFRPSA-N
- SMILES： O1C2C=C3C(C=CC(=O)O3)=CC=2C[C@H]1C(C)(C)OC(/C(=C/C)/C)=O
Computed Properties
- Exact Mass: 328.13107373g/mol
- Monoisotopic Mass: 328.13107373g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 589
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.8
- XLogP3: 3.7
Deltoin Related Literature
-
1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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