Spiredine
AlkaPlorer ID: AK046860
Synonym: '', 'Spiredine'
IUPAC Name: (1S,5R,11R,14R,17S,20S,21R)-5-methyl-15-methylidene-7-oxa-10-azaheptacyclo[12.6.2.01,11.05,20.06,10.012,17.017,21]docosane-19,22-dione
Structure
SMILES: C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C4OCCN4[C@@H]5C2C[C@H]1C(=O)[C@H]36
InChI: InChI=1S/C22H27NO3/c1-11-9-21-10-14(24)16-20(2)4-3-5-22(16)17(21)15(25)12(11)8-13(21)18(22)23-6-7-26-19(20)23/h12-13,16-19H,1,3-10H2,2H3/t12-,13?,16-,17-,18-,19?,20-,21+,22+/m1/s1
InChIKey: SMCYLHSXVDDYCA-UXTSAHMASA-N
Reference
A New C20-Diterpene Alkaloid, Spirasine III and the Interconversion of Oxazolidine Ring
PubChem CID: 11953914
CAS: 60062-45-5
LOTUS: LTS0072507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum javanicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.462
TPSA？: 46.61
MolLogP？: 2.573800000000001
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|