(1S,2R,4R,5R,6R,8S,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-8,9,16-trihydroxy-18,20-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.2⁴,⁸.0¹,¹⁰.0²,⁶.0¹³,¹⁷]icosan-5-yl acetate
AlkaPlorer ID: AK251241
Synonym: None
IUPAC Name: [(1S,2R,4R,5R,6R,8S,9S,10S,13S,16S,17R,18S,20S)-11-ethyl-8,9,16-trihydroxy-18,20-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.24,8.01,10.02,6.013,17]icosan-5-yl] acetate
Structure
SMILES: CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5C[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C27H43NO8/c1-6-28-12-24(13-33-3)8-7-19(30)26-17-9-15-18(34-4)11-25(31,10-16(17)20(15)36-14(2)29)27(32,23(26)28)22(35-5)21(24)26/h15-23,30-32H,6-13H2,1-5H3/t15-,16-,17-,18+,19+,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
InChIKey: QWNOCXABDPZOJQ-XSDFPVSMSA-N
Reference
Norditerpenoid alkaloids of Delphinium leroyi
PubChem CID: 162880795
LOTUS: LTS0161299
SuperNatural Ⅲ: SN0317113-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium leroyi | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 509.6400000000003
TPSA？: 117.92000000000002
MolLogP？: 0.5778000000000021
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|