Merresectine D
AlkaPlorer ID: AK008596
Synonym: None
IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoate
Structure
SMILES: CC(=CCC1=C(C(=CC(=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)OC)O)C
InChI: InChI=1S/C21H29NO4/c1-13(2)5-6-14-9-15(10-19(25-4)20(14)23)21(24)26-18-11-16-7-8-17(12-18)22(16)3/h5,9-10,16-18,23H,6-8,11-12H2,1-4H3/t16-,17+,18?
InChIKey: ONGAXCZYCQUMSY-JWTNVVGKSA-N
Reference
PubChem CID: 91751185
Source
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Properties Information
Molecule Weight: 359.46600000000007
TPSA？: 59.0
MolLogP？: 3.691500000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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