(1S,2R,4S,5R,6R,8R,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-8,18,20-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.2⁴,⁸.0¹,¹⁰.0²,⁶.0¹³,¹⁷]icosane-5,9,16-triol
AlkaPlorer ID: AK068277
Synonym: None
IUPAC Name: (1S,2R,4S,5R,6R,8R,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-8,18,20-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.24,8.01,10.02,6.013,17]icosane-5,9,16-triol
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@@](OC)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C26H43NO7/c1-6-27-12-23(13-31-2)8-7-18(28)25-16-9-14-17(32-3)11-24(34-5,10-15(16)19(14)29)26(30,22(25)27)21(33-4)20(23)25/h14-22,28-30H,6-13H2,1-5H3/t14-,15-,16-,17+,18+,19+,20-,21+,22+,23+,24-,25+,26-/m1/s1
InChIKey: JMSPNFBWVVKIPP-ZZFYSSIHSA-N
Reference
Norditerpenoid alkaloids of Delphinium leroyi
PubChem CID: 162847583
LOTUS: LTS0233367
SuperNatural Ⅲ: SN0169641-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium leroyi | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 481.6300000000003
TPSA？: 100.85000000000002
MolLogP？: 0.6611000000000022
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|