Basic information
- CAS
1740-36-9- Standard SMILES
COC(=O)C1(C)CCCC2(C)C3CCC(C)(CCO)CC3C(O)CC12- InChIKey
OFMLCSCCTXPJID-UHFFFAOYSA-N- Molecular formula
- C21H36O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.26135963
Names & identifiers
- Preferred name
- Methyl 7,16-dihydroxypimaran-18-oate
- IUPAC
- methyl 9-hydroxy-7-(2-hydroxyethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Names & synonyms
1740-36-9methyl 7,16-dihydroxypimaran-18-oateNSC149556DTXSID80938453NSC149554NSC-149554NSC-149556
Database identifiers
- CAS
1740-36-9- PubChem CID
- 288376
- DTXSID
DTXSID80938453
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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