[(2S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate
Basic information
- CAS
92008-84-9- Standard SMILES
C=C1C(=O)OC2C[C@H](C)C3=CC(=O)[C@](C)(O3)[C@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12- InChIKey
FTVMWSOWJLIHCD-VSKUJEONSA-N- Molecular formula
- C20H24O7
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.1522031
Names & identifiers
- Preferred name
- [(2S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate
- IUPAC
- [(2S,8S,9S,10R,11R)-10-hydroxy-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] (E)-2-methylbut-2-enoate
Names & synonyms
92008-84-92-Butenoic acid, 2-methyl-, 2,3,3a,4,5,6,7,10,11,11a-decahydro-5-hydroxy- 6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca(b)furan-4-yl ester, (3aS-(3aR*,4R*(Z),5S*,6S*,10S*,10aR*))
Database identifiers
- CAS
92008-84-9- PubChem CID
- 6442985
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 777
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…