[(1S,2R,3R,4S,5R,6S,8R,12S,13S,16S,19S,20R,21S)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
AlkaPlorer ID: AK320042
Synonym: None
IUPAC Name: (14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-16-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)CC7(OCOC7(C(OC)C23)C14)C5C6OC
InChI: InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3
InChIKey: KOWWOODYPWDWOJ-UHFFFAOYSA-N
Reference
Shawurensine, a new C19-diterpenoid alkaloid from Delphinium shawurense
PubChem CID: 261185
CAS: 26000-16-8
LOTUS: LTS0186916
COCONUT: CNP0116586.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium shawurense | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 694.8220000000003
TPSA？: 122.30000000000004
MolLogP？: 3.054800000000003
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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