Cas no 79953-87-0 (2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester)
![2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester structure](https://ossimg.kuujia.com/scimg/80000/79953-87-0x500.png)
79953-87-0 structure
Product Name:2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester
CAS No:79953-87-0
MF:C19H24O8
MW:380.389066696167
CID:1799230
PubChem ID:90476236
Update Time:2025-04-21
2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester Chemical and Physical Properties
Names and Identifiers
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- 2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester
- 79953-87-0
- 2-Methylpropenoic acid[(3as,4s,5s,6r,9z,10ar)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl]ester
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- Inchi： 1S/C19H24O8/c1-8(2)16(22)26-14-13-10(4)18(24)25-12(13)7-9(3)17(23)27-19(6,11(5)20)15(14)21/h7,11-15,20-21H,1,4H2,2-3,5-6H3
- InChI Key： UNYWYFFFHHQZSP-UHFFFAOYSA-N
- SMILES： CC(C1(C(O)C(OC(C(=C)C)=O)C2C(OC(C2=C)=O)C=C(C)C(=O)O1)C)O
Computed Properties
- Exact Mass: 380.14711772g/mol
- Monoisotopic Mass: 380.14711772g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 736
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 119?2
2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
79953-87-0 (2-Methylpropenoic acid [(3aS,4S,5S,6R,9Z,10aR)-2,3,3a,4,5,6,8,10a-octahydro-5-hydroxy-6-[(S)-1-hydroxyethyl]-6,9-dimethyl-3-methylene-2,8-dioxofuro[2,3-e]oxonin-4-yl] ester) Related Products
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