(-)-11,12-Methylenedioxy-kopsinaline
AlkaPlorer ID: AK035028
Synonym: 'N-Decarbomethoxykopsamine', 'Kopsinine H'
IUPAC Name: methyl (1R,12R,19S,21S,24S)-21-hydroxy-5,7-dioxa-2,15-diazaheptacyclo[17.2.2.112,15.01,12.03,11.04,8.019,24]tetracosa-3(11),4(8),9-triene-21-carboxylate
Structure
SMILES: COC(=O)[C@]1(O)C[C@]23CCCN4CC[C@@]5(C6=CC=C7OCOC7=C6N[C@@]15CC2)[C@@H]43
InChI: InChI=1S/C22H26N2O5/c1-27-18(25)21(26)11-19-5-2-9-24-10-8-20(17(19)24)13-3-4-14-16(29-12-28-14)15(13)23-22(20,21)7-6-19/h3-4,17,23,26H,2,5-12H2,1H3/t17-,19-,20+,21+,22+/m0/s1
InChIKey: JVIKUDVTJCANPX-XBJCXQGOSA-N
Reference
Alkaloids from Kopsia dasyrachis
PubChem CID: 162933943
LOTUS: LTS0163621
SuperNatural Ⅲ: SN0176286-03
Source
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Properties Information
Molecule Weight: 398.4590000000002
TPSA？: 80.26
MolLogP？: 1.7734999999999994
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
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