Methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Basic information
- CAS
22489-68-5- Standard SMILES
COC(=O)C1(C)CCCC2(C)c3cc(OC)c(Br)cc3CCC12- InChIKey
MNQNYGLSRRTGLN-UHFFFAOYSA-N- Molecular formula
- C19H25BrO3
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.09871
Names & identifiers
- Preferred name
- Methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
- IUPAC
- methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Names & synonyms
DTXSID70305933methyl 7-bromo-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate22489-68-5RefChem:356392DTXCID50257062NSC172770NSC-172770methyl 13-bromo-12-methoxypodocarpa-8(14),9(11),12-trien-15-oate
Database identifiers
- CAS
22489-68-5- PubChem CID
- 299556
- DTXSID
DTXSID70305933
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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