2,18-dimethyl (1S,9R,16R,21S)-4-methoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate
AlkaPlorer ID: AK251260
Synonym: None
IUPAC Name: dimethyl (1S,9R,16R,21S)-4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,17-tetraene-2,18-dicarboxylate
Structure
SMILES: COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(C6=CC=CC(OC)=C6N(C(=O)OC)[C@]15CC2)[C@@H]43
InChI: InChI=1S/C24H28N2O5/c1-29-17-7-4-6-15-18(17)26(21(28)31-3)24-10-9-22(14-16(24)19(27)30-2)8-5-12-25-13-11-23(15,24)20(22)25/h4,6-7,14,20H,5,8-13H2,1-3H3/t20-,22+,23+,24+/m0/s1
InChIKey: FQNFNLYSEMFYRJ-MZURWIMNSA-N
Reference
Dehydropleiocarpine alkaloids from Kopsia profunda
PubChem CID: 102056166
LOTUS: LTS0139956
SuperNatural Ⅲ: SN0092793-01
NPASS: NPC250941
data_source: manually
Source
Properties Information
Molecule Weight: 424.4970000000002
TPSA？: 68.31
MolLogP？: 3.0195000000000016
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 7
Activities Information
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