(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,16S,17R,18S)-4,16-bis(acetyloxy)-11-ethyl-8-hydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
AlkaPlorer ID: AK252212
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9R,10R,13R,16S,17R,18S)-4,18-diacetyloxy-11-ethyl-8-hydroxy-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-yl] acetate
Structure
SMILES: CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H]([C@@H](OC(C)=O)[C@H]23)[C@@H]14
InChI: InChI=1S/C28H41NO8/c1-7-29-12-26(5)9-8-19(35-13(2)30)28-17-10-16-18(34-6)11-27(33,20(17)22(16)36-14(3)31)21(25(28)29)23(24(26)28)37-15(4)32/h16-25,33H,7-12H2,1-6H3/t16-,17-,18+,19+,20-,21+,22+,23-,24-,25-,26+,27-,28+/m1/s1
InChIKey: SHAOBAHEVBBINF-WDNGSBJXSA-N
Reference
The C19-diterpenoid alkaloids of Delphinium bicolor
PubChem CID: 163030760
LOTUS: LTS0119589
SuperNatural Ⅲ: SN0345323-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium bicolor | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 519.6350000000003
TPSA？: 111.6
MolLogP？: 1.9338000000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|