Basic information
- CAS
1740-37-0- Standard SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C)(CCOC(C)=O)CC3C(OC(C)=O)CC12- InChIKey
YSTVSVGSZXDBFD-UHFFFAOYSA-N- Molecular formula
- C25H40O6
- Average molar mass
- 436.6 g/mol
- Monoisotopic mass
- 436.28248899
Names & identifiers
- Preferred name
- Methyl 7,16-bis(acetyloxy)pimaran-18-oate
- IUPAC
- methyl 9-acetyloxy-7-(2-acetyloxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Names & synonyms
1740-37-0methyl 7,16-bis(acetyloxy)pimaran-18-oateNSC149560DTXSID40938454NSC-149560
Database identifiers
- CAS
1740-37-0- PubChem CID
- 288381
- DTXSID
DTXSID40938454
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 719
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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