(1S,2R,4S,5R,6R,8R,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-18,20-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.2⁴,⁸.0¹,¹⁰.0²,⁶.0¹³,¹⁷]icosane-5,8,9,16-tetrol
AlkaPlorer ID: AK265406
Synonym: None
IUPAC Name: (1S,2R,4S,5R,6R,8R,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-18,20-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.24,8.01,10.02,6.013,17]icosane-5,8,9,16-tetrol
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5C[C@@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C25H41NO7/c1-5-26-11-22(12-31-2)7-6-17(27)24-15-8-13-16(32-3)10-23(29,9-14(15)18(13)28)25(30,21(24)26)20(33-4)19(22)24/h13-21,27-30H,5-12H2,1-4H3/t13-,14-,15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1
InChIKey: BWOVBUJCJDASBC-WPENWWETSA-N
Reference
Norditerpenoid alkaloids of Delphinium leroyi
PubChem CID: 163026350
LOTUS: LTS0189115
SuperNatural Ⅲ: SN0037449-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium leroyi | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 467.6030000000002
TPSA？: 111.85000000000002
MolLogP？: 0.0070000000000018
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|