1-O-Acetylhypognavine
AlkaPlorer ID: AK162583
Synonym: 'Hypognavine 1-acetate'
IUPAC Name: [(1R,2S,3S,5R,8R,9S,11S,13R,14S,16S,17R,18S)-2-acetyloxy-13,18-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate
Structure
SMILES: C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)C7=CC=CC=C7)[C@@H](OC(C)=O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2
InChI: InChI=1S/C29H33NO6/c1-14-17-9-18-22-29-21-19(11-27(18,23(14)32)28(29,34)10-17)30(22)13-26(21,3)12-20(24(29)35-15(2)31)36-25(33)16-7-5-4-6-8-16/h4-8,17-24,32,34H,1,9-13H2,2-3H3/t17-,18+,19-,20-,21+,22+,23+,24+,26-,27-,28-,29+/m0/s1
InChIKey: UHHNHGRRAVEXIE-UYHAKKBPSA-N
Reference
On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.
PubChem CID: 163025038
LOTUS: LTS0179502
SuperNatural Ⅲ: SN0370453-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum sanyoense | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 491.5840000000003
TPSA？: 96.3
MolLogP？: 2.314400000000001
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|