(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate
AlkaPlorer ID: AK259888
Synonym: None
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,14-dihydroxy-6,8,16,18-tetramethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 3,4-dimethoxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC)([C@H]5[C@H]6OC(=O)C5=CC=C(OC)C(OC)=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C35H51NO11/c1-9-36-16-32(17-40-2)22(37)13-23(43-5)35-19-14-33(39)24(44-6)15-34(46-8,26(29(35)36)27(45-7)28(32)35)25(19)30(33)47-31(38)18-10-11-20(41-3)21(12-18)42-4/h10-12,19,22-30,37,39H,9,13-17H2,1-8H3/t19-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1
InChIKey: MVUNOMFCCVPVGZ-NRJUAHOSSA-N
Reference
Alkaloids of Aconitum balfourii Stapf.
PubChem CID: 163099921
LOTUS: LTS0016260
SuperNatural Ⅲ: SN0236732-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum balfourii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 661.7890000000002
TPSA？: 134.61
MolLogP？: 1.777800000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|