6,16,18-Trimethoxy-1,7,8,14-tetrahydroxy-4-methylaconitane
AlkaPlorer ID: AK000149
Synonym: None
IUPAC Name: (1S,2R,3R,5S,8R,9S,10S,13R,17R)-6,11,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Structure
SMILES: C[C@@]12CCC([C@@]34[C@@H]1C([C@@]([C@H]3N(C2)OC)([C@]5(CC([C@H]6C[C@@H]4[C@@H]5C6O)OC)O)O)OC)O
InChI: InChI=1S/C22H35NO7/c1-19-6-5-13(24)21-11-7-10-12(28-2)8-20(26,14(11)15(10)25)22(27,17(29-3)16(19)21)18(21)23(9-19)30-4/h10-18,24-27H,5-9H2,1-4H3/t10-,11-,12?,13?,14-,15?,16-,17?,18+,19+,20-,21+,22-/m1/s1
InChIKey: CECDVOACYFCTGS-GANLGWSQSA-N
Reference
PubChem CID: 170995309
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium cyphoplectrum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 425.5220000000001
TPSA？: 111.85000000000002
MolLogP？: -0.46809999999999813
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|