[(1S,2R,3R,4S,5S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
AlkaPlorer ID: AK473858
Synonym: None
IUPAC Name: (11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-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)C34C5CC6CCC(O)(C5C6OC)C(O)(C(OC)C23)C14
InChI: InChI=1S/C36H48N2O9/c1-6-37-17-33(18-47-31(41)21-9-7-8-10-23(21)38-25(39)15-19(2)30(38)40)13-12-24(44-3)35-22-16-20-11-14-34(42,26(22)27(20)45-4)36(43,32(35)37)29(46-5)28(33)35/h7-10,19-20,22,24,26-29,32,42-43H,6,11-18H2,1-5H3
InChIKey: NYZNHVPTUJDTPC-UHFFFAOYSA-N
Reference
Norditerpene Alkaloids from Delphinium cuneatum
PubChem CID: 162849194
LOTUS: LTS0116492
COCONUT: CNP0111032.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium cuneatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 652.7850000000005
TPSA？: 135.07000000000002
MolLogP？: 2.410200000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|