Basic information
- CAS
58189-38-1- Standard SMILES
COc1c2c(cc3c1OCO3)[C@@]13C(O)CN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13- InChIKey
GKZWOVRDMISXTE-OQJUAWBNSA-N- Molecular formula
- C18H21NO6
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.13688739
Names & identifiers
- Preferred name
- Epoxyamabelline
- IUPAC
- (1S,13R,15R,16S,18R)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-ol
Names & synonyms
EpoxyamabellineSCHEMBL30544971NSC709875NSC-709875Crinan-11-ol,2-epoxy-3,7-dimethoxy-,(1.beta.,2.beta.,3.alpha.,11R)-2H,10b-Ethano[1,3]dioxolo[4,5-j]oxireno[a] phenanthridin-11-ol, 1a,3,3a,10c-tetrahydro-2,6-dimethoxy-, (1aS,2R,3aR,4R,10bS,10cR,11R)-
Database identifiers
- CAS
58189-38-1- PubChem CID
- 399202
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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