Isosarcophin
Basic information
- CAS
132160-45-3- Standard SMILES
CC1=C2CCC3(C)OC3CC/C(C)=C\CC/C(C)=C/C2OC1=O- InChIKey
SFVXZSDFKHJFIY-ATYDYJLJSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Overview
See also: Isosarcophine (annotation moved to).
Names & identifiers
- Preferred name
- Isosarcophin
- IUPAC
- (9Z,13E)-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
Names & synonyms
Isosarcophin(+)-Isosarcophine132160-45-3
Database identifiers
- CAS
132160-45-3- PubChem CID
- 6442773
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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