None
AlkaPlorer ID: AK323916
Synonym: None
IUPAC Name: [(1S,2S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-1'-acetyl-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@@]6(CC[C@@H](C)CN6C(C)=O)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1
InChI: InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28+,29+,30+,31+/m1/s1
InChIKey: CUIHFVBXGFUGAP-BYNDJFDXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum umbelliferum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 497.7200000000004
TPSA？: 55.84
MolLogP？: 6.116600000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | None | None | 10.1021/np960125a |