Basic information
- CAS
65995-42-8- Standard SMILES
COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)NCC3- InChIKey
HXDUIMXGDBUTBF-IZLXSDGUSA-N- Molecular formula
- C36H38N2O6
- Average molar mass
- 594.7 g/mol
- Monoisotopic mass
- 594.27298694
Names & identifiers
- Preferred name
- Dihydrotiliafunimine
- IUPAC
- (1S,15R)-10,21,26-trimethoxy-31-methyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaen-22-ol
Names & synonyms
Dihydrotiliafunimine(+)-2=Northalrugosine65995-42-8Berbaman-7-ol, 6,6',12-trimethoxy-2'-methyl-
Database identifiers
- CAS
65995-42-8- PubChem CID
- 181764
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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