(1R,2S,4R,6R,7R,10S,11S,12S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹²,¹⁶]docosan-6-ol
AlkaPlorer ID: AK158555
Synonym: None
IUPAC Name: (1R,2S,4R,6R,7R,10S,11S,12S)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
Structure
SMILES: C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN4CCO[C@H]45)[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)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16-,17-,18-,19+,20+,21-,22+/m1/s1
InChIKey: NPIYQNRBTZBZPJ-NUFRDJDGSA-N
Reference
The alkaloids of aconitum heterophyllum wall.: Isolation and characterization
PubChem CID: 162895227
LOTUS: LTS0047652
SuperNatural Ⅲ: SN0251722-04
NPASS: NPC29150
Source
Properties Information
Molecule Weight: 343.511
TPSA？: 32.7
MolLogP？: 3.5783000000000027
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 7
Activities Information
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