Uprolide D Acetate
Basic information
- CAS
169275-29-0- Standard SMILES
C=C1CCC[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2C[C@@H](O)[C@]2(C)CC[C@H]1O2- InChIKey
WUFJYPLWWXQZJB-WZAYMCMVSA-N- Molecular formula
- C22H32O6
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.21988874
Overview
Uprolide D acetate has been reported in Eunicea mammosa with data available.
Names & identifiers
- Preferred name
- Uprolide D Acetate
- IUPAC
- [(1S,2R,4S,8R,9R,10S,15R)-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 D acetate169275-29-0((1S,2R,4S,8R,9R,10S,15R)-2-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo(13.2.1.04,8)octadecan-9-yl) acetate[(1S,2R,4S,8R,9R,10S,15R)-2-hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-9-yl] acetateRefChem:193160CHEMBL517459
Database identifiers
- CAS
169275-29-0- PubChem CID
- 178126
- ChEMBL
CHEMBL517459- Nikkaji
- J1.480.013A
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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