15-Veratroylpseudokobusine
AlkaPlorer ID: AK048944
Synonym: ''
IUPAC Name: [(1R,5S,8R,9S,11R,13R,14R,16R,17R,18S,19R)-16,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-13-yl] 3,4-dimethoxybenzoate
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@@]6(C)CCC[C@]47[C@H]([C@@H]2O)[C@]3(C[C@@]5(O)[C@H]67)[C@@H]1OC(=O)C1=CC=C(OC)C(OC)=C1
InChI: InChI=1S/C29H35NO6/c1-14-16-11-17-22-27-9-5-8-26(2)13-30(22)29(33,25(26)27)12-28(17,21(27)20(16)31)23(14)36-24(32)15-6-7-18(34-3)19(10-15)35-4/h6-7,10,16-17,20-23,25,31,33H,1,5,8-9,11-13H2,2-4H3/t16-,17-,20-,21+,22-,23-,25-,26-,27+,28-,29-/m1/s1
InChIKey: UGFXGERAVXLFDK-MVCQBWKKSA-N
Reference
Studies on Aconitum Species V. Constituents of Aconitum yesoense var. macroyesoense (Nakai) Tamura
PubChem CID: 162818989
LOTUS: LTS0225229
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sachalinense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 493.60000000000025
TPSA？: 88.46000000000001
MolLogP？: 2.9951000000000016
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|