(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.0²,¹⁴.0³,¹¹.0⁶,¹⁰]nonadecan-8-yl acetate
AlkaPlorer ID: AK198444
Synonym: None
IUPAC Name: [(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@]2(C)C1
InChI: InChI=1S/C21H33NO3/c1-12(23)24-14-9-17-15-5-4-13-8-19-22-11-18(25-19)21(13,3)16(15)6-7-20(17,2)10-14/h13-19,22H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21+/m1/s1
InChIKey: LCDBBFJXTGHUHX-WBRHAJCQSA-N
Reference
<i>O</i>‐Acetyl‐samandarin im Gift von Salamandra Maculosa
PubChem CID: 162849085
LOTUS: LTS0061273
SuperNatural Ⅲ: SN0201502-01
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salamandra salamandra | Salamandra | Salamandridae | Caudata | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 347.4990000000002
TPSA？: 47.56
MolLogP？: 3.4951000000000025
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|