(1R,2S,4S,7R,8R,10R,11S)-8-hydroxy-13-(2-hydroxyethyl)-11-methyl-19-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-6-one
AlkaPlorer ID: AK347520
Synonym: None
IUPAC Name: 8-hydroxy-13-(2-hydroxyethyl)-11-methyl-19-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-6-one
Structure
SMILES: C=C1CC23C(=O)CC1CC2C12CCCC(C)(CN(CCO)C1)C2CC3O
InChI: InChI=1S/C22H33NO3/c1-14-11-22-17(8-15(14)9-18(22)25)21-5-3-4-20(2,16(21)10-19(22)26)12-23(13-21)6-7-24/h15-17,19,24,26H,1,3-13H2,2H3
InChIKey: BSIXUKDXPORSEL-UHFFFAOYSA-N
Reference
Five diterpene alkaloids from Spiraea japonica (Rosaceae)
PubChem CID: 73800058
CAS: 142750-44-5
LOTUS: LTS0052641
COCONUT: CNP0236884.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Spiraea japonica | Spiraea | Rosaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.5100000000001
TPSA？: 60.77000000000001
MolLogP？: 2.3933000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|