[(1R,2S,5S,8S,9S,10R,11S,12R,13R,14S,17S,18R)-3-ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.1¹⁰,¹³.0¹,¹¹.0²,⁹.0⁵,¹⁸]nonadecan-5-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
AlkaPlorer ID: AK459109
Synonym: None
IUPAC Name: (3-ethyl-8,12,14,17-tetramethoxy-16-oxo-3-azahexacyclo[7.6.3.110,13.01,11.02,9.05,18]nonadecan-5-yl)methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate
Structure
SMILES: CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)CC(C(=O)C(OC)C23)(C5C6OC)C14
InChI: InChI=1S/C37H48N2O9/c1-7-38-17-35(18-48-33(43)20-10-8-9-11-23(20)39-26(40)14-19(2)32(39)42)13-12-25(45-4)37-22-15-21-24(44-3)16-36(34(37)38,27(22)28(21)46-5)31(41)29(47-6)30(35)37/h8-11,19,21-22,24-25,27-30,34H,7,12-18H2,1-6H3
InChIKey: MQOIQKHNDYFUQO-UHFFFAOYSA-N
Reference
Diterpenoid Alkaloids from <i>Delphinium yunnanense</i>
PubChem CID: 163040152
LOTUS: LTS0019741
COCONUT: CNP0320838.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium yunnanense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 664.7960000000005
TPSA？: 120.91000000000004
MolLogP？: 3.128400000000004
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|