(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 3,4-dimethoxybenzoate
AlkaPlorer ID: AK270184
Synonym: None
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13R,14R,16S,17S,18R)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-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@@](O)([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/C34H49NO11/c1-8-35-15-31(16-40-2)21(36)12-22(43-5)34-18-13-32(38)23(44-6)14-33(39,25(28(34)35)26(45-7)27(31)34)24(18)29(32)46-30(37)17-9-10-19(41-3)20(11-17)42-4/h9-11,18,21-29,36,38-39H,8,12-16H2,1-7H3/t18-,21-,22+,23+,24-,25+,26+,27-,28-,29-,31+,32+,33-,34+/m1/s1
InChIKey: MSRNKBZGCDRCCC-FGVKVMLJSA-N
Reference
Alkaloids of Aconitum balfourii Stapf.
PubChem CID: 163083749
LOTUS: LTS0197108
SuperNatural Ⅲ: SN0234326-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum balfourii | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 647.7620000000003
TPSA？: 145.61
MolLogP？: 1.1237000000000037
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|