Basic information
- Standard SMILES
CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]13CCCC(C)(C)C1C[C@@H]2OC3- InChIKey
GINOEDXLNMHUDV-OOJICCNXSA-N- Molecular formula
- C24H32O5
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.22497412
Overview
[(1R,8S)-3-acetyloxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-yl] acetate has been reported in Plectranthus barbatus with data available.
Names & identifiers
- Preferred name
- [(1R,8S)-3-acetyloxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-yl] acetate
- IUPAC
- [(1R,8S)-3-acetyloxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-4-yl] acetate
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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