8-(acetyloxy)-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,?.0¹,¹?.0³,?.0¹³,¹?]nonadecan-4-yl 4-methoxybenzoate
AlkaPlorer ID: AK367088
Synonym: None
IUPAC Name: [(1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,15S,16R,17R,18R)-8-acetyloxy-11-ethyl-5,15-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)C[C@H](O)[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)C5=CC=C(OC)C=C5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14
InChI: InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)14-22(38)29(45-7)35-21-13-33(40)23(43-5)15-34(47-18(2)37,25(28(35)36)26(44-6)27(32)35)24(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22+,23+,24-,25+,26+,27-,28-,29+,30-,32+,33+,34-,35+/m1/s1
InChIKey: DLUIQNPSQORVTK-AKHRLRFLSA-N
Reference
Three New Diterpenoid Alkaloids from Roots of Aconitum ouvrardianum HAND.-MAZZ.
PubChem CID: 102086528
LOTUS: LTS0051567
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum ouvrardianum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 659.7730000000004
TPSA？: 142.45000000000002
MolLogP？: 1.685900000000003
Number of H-Donors: 2
Number of H-Acceptors: 12
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|