11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-13-yl 2-acetamidobenzoate
AlkaPlorer ID: AK098784
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17S)-11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate
Structure
SMILES: CCN1C[C@]2(OC(=O)C3=CC=CC=C3N=C(C)O)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[C@H]23)[C@@H]14
InChI: InChI=1S/C32H44N2O8/c1-6-34-16-29(42-27(36)18-9-7-8-10-21(18)33-17(2)35)12-11-24(40-4)32-20-13-19-22(39-3)14-30(37,25(20)26(19)41-5)31(38,28(32)34)15-23(29)32/h7-10,19-20,22-26,28,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23-,24+,25-,26+,28-,29-,30-,31-,32-/m1/s1
InChIKey: VUTCZQISWNZQOW-ZYYSWALGSA-N
Reference
Alkaloids of Aconitum rubricundum
PubChem CID: 101611195
LOTUS: LTS0154505
NPASS: NPC95823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum finetianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 584.7100000000004
TPSA？: 130.28
MolLogP？: 2.871100000000001
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|