Merresectine C
AlkaPlorer ID: AK008207
Synonym: None
IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3,5-bis(3-methylbut-2-enyl)benzoate
Structure
SMILES: CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)C
InChI: InChI=1S/C25H35NO3/c1-16(2)6-8-18-12-20(13-19(24(18)27)9-7-17(3)4)25(28)29-23-14-21-10-11-22(15-23)26(21)5/h6-7,12-13,21-23,27H,8-11,14-15H2,1-5H3/t21-,22+,23?
InChIKey: MYEROKWORYNFGZ-AIZNXBIQSA-N
Reference
PubChem CID: 91751184
Source
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Properties Information
Molecule Weight: 397.5590000000002
TPSA？: 49.77
MolLogP？: 5.1916000000000055
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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