atisine
AlkaPlorer ID: AK004239
Synonym: '', 'Anthorine', 'Atisine'
IUPAC Name: (1S,2R,4R,6R,7R,10R,11S,17S)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.24,7.01,10.02,7.013,17]docosan-6-ol
Structure
SMILES: C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]3C2)[C@@H]1O
InChI: InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16-,17-,18-,19+,20-,21-,22+/m1/s1
InChIKey: KWVIBDAKHDJCNY-BGHGPXJHSA-N
Reference
Diterpenoid Alkaloids from Consolida regalis S. F.Gray subsp.paniculata (Host) Soo var. paniculata
PubChem CID: 162923622
LOTUS: LTS0238162
SuperNatural Ⅲ: SN0197574-01
NPASS: NPC5044
Source
Properties Information
Molecule Weight: 343.5110000000001
TPSA？: 32.7
MolLogP？: 3.5783000000000027
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
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