Basic information
- CAS
1183-64-8- Standard SMILES
CC(=O)OCC12C3CC4C(C)=CC(OC(C)=O)C(OC(C)=O)C4(C)C1C(=O)C(OC(C)=O)C(C)C2C(OC(C)=O)C(=O)O3- InChIKey
BQTRFRZIHPSCQK-UHFFFAOYSA-N- Molecular formula
- C30H38O13
- Average molar mass
- 606.6 g/mol
- Monoisotopic mass
- 606.23124126
Names & identifiers
- Preferred name
- Glaucarubol pentaacetate
- IUPAC
- (3,4,12,15-tetraacetyloxy-2,6,14-trimethyl-11,16-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-en-17-yl)methyl acetate
Names & synonyms
1183-64-8Glaucarubol pentaacetateNSC13279911,16-dioxopicras-3-ene-1,2,12,15,20-pentayl pentaacetateDTXSID00299775NSC-132799
Database identifiers
- CAS
1183-64-8- PubChem CID
- 280694
- DTXSID
DTXSID00299775
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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