powelline Trifluoroacetic acid
AlkaPlorer ID: AK000996
Synonym: 'Crinan-3-ol, 1,2-didehydro-7-methoxy-, (3alpha)- Trifluoroacetic acid', 'Powellin', 'Powelline'
IUPAC Name: (1S,13R,15R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-ol
Structure
SMILES: COC1=C2CN3CC[C@]4(C=C[C@H](O)C[C@@H]34)C2=CC2=C1OCO2
InChI: InChI=1S/C17H19NO4/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13/h2-3,7,10,14,19H,4-6,8-9H2,1H3/t10-,14+,17+/m0/s1
InChIKey: VXTCKUJRGBGTEH-NCAQKEMTSA-N
Source
Properties Information
Molecule Weight: 301.3420000000001
TPSA？: 51.16000000000001
MolLogP？: 1.5703999999999998
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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