16-beta-hydroxycardiopetaline
AlkaPlorer ID: AK043371
Synonym: '', '16beta-Hydroxycardiopetaline'
IUPAC Name: (1S,2S,3S,4S,5S,6R,8R,9S,10R,13R,16R,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,6,8,16-tetrol
Structure
SMILES: CCN1C[C@]2(C)CC[C@@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@]1(O)C[C@@H](O)[C@@H]2C[C@H]4[C@H]1[C@H]2O
InChI: InChI=1S/C21H33NO4/c1-3-22-9-19(2)5-4-15(24)21-11-6-10-13(23)8-20(26,16(11)17(10)25)12(18(21)22)7-14(19)21/h10-18,23-26H,3-9H2,1-2H3/t10-,11-,12-,13+,14+,15+,16-,17-,18+,19-,20+,21+/m0/s1
InChIKey: UMENVHXIPMXIRD-XDMLEESQSA-N
Reference
Norditerpene and diterpene alkaloids from Aconitum variegatum
PubChem CID: 162992278
LOTUS: LTS0088248
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum variegatum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.4980000000001
TPSA？: 84.16000000000001
MolLogP？: 0.5964999999999994
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|