(2-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-9-yl) acetate
Basic information
- CAS
169217-44-1- Standard SMILES
C=C1CCCC(C)C(OC(C)=O)C2OC(=O)C(=C)C2CC(O)C2(C)CCC1O2- InChIKey
WUFJYPLWWXQZJB-UHFFFAOYSA-N- Molecular formula
- C22H32O6
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.21988874
Overview
Uprolide E acetate has been reported in Eunicea mammosa with data available.
Names & identifiers
- Preferred name
- (2-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-9-yl) acetate
- IUPAC
- (2-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-9-yl) acetate
Names & synonyms
Uprolide E acetate169217-44-1DTXSID409376095-hydroxy-6,14-dimethyl-3,10-dimethylidene-2-oxohexadecahydro-6,9-epoxycyclotetradeca[b]furan-15-yl acetate
Database identifiers
- CAS
169217-44-1- PubChem CID
- 178123
- DTXSID
DTXSID40937609- ChEMBL
CHEMBL517478
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 670
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Related reactions
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Compound notes
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