Dregamine; 20-Epimer, 3R-alcohol
AlkaPlorer ID: AK297082
Synonym: Tabernaemontaninol
IUPAC Name: methyl 15-ethyl-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
Structure
SMILES: CCC1CN(C)C2CC3=C(NC4=CC=CC=C34)C(O)CC1C2C(=O)OC
InChI: InChI=1S/C21H28N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17-19,22,24H,4,9-11H2,1-3H3
InChIKey: GZTGPKOSHVZHKN-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 356.4660000000002
TPSA？: 65.56
MolLogP？: 2.8931000000000013
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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