2-Butenoic acid, 2-methyl-, (3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, (2Z)-
Basic information
- CAS
121519-08-2- Standard SMILES
C=C1C(=O)OC2/C=C(/CO)C3(O)C=CC(C)(CC(OC(=O)C(C)=CC)C12)O3- InChIKey
ZXQIVEHVNKQIIU-OGHMKMPASA-N- Molecular formula
- C20H24O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.1522031
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-, (3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, (2Z)-
- IUPAC
- [(2Z)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylbut-2-enoate
Names & synonyms
DTXSID601098789121519-08-22-Butenoic acid, 2-methyl-, (3aR,4R,6R,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester, (2Z)-
Database identifiers
- CAS
121519-08-2- PubChem CID
- 165366100
- DTXSID
DTXSID601098789
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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