[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-12-oxo-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
AlkaPlorer ID: AK208605
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-12-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
Structure
SMILES: CCN1C(=O)[C@]2(COC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C32H44N2O9/c1-6-34-27-31-18-13-17-20(39-2)14-30(37,22(18)23(17)41-4)32(27,38)25(42-5)24(31)29(28(34)36,12-11-21(31)40-3)15-43-26(35)16-9-7-8-10-19(16)33/h7-10,17-18,20-25,27,37-38H,6,11-15,33H2,1-5H3/t17-,18-,20+,21+,22-,23+,24-,25+,27+,29+,30-,31+,32-/m1/s1
InChIKey: ABHLLCOMIOJWIA-PBZIOZNRSA-N
Reference
Four diterpenoid alkaloids from Delphinium elatum
PubChem CID: 101630685
LOTUS: LTS0223948
SuperNatural Ⅲ: SN0000994-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Delphinium elatum | Delphinium | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 600.7090000000004
TPSA？: 150.01
MolLogP？: 1.2445000000000028
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|