| SpectraBase Spectrum ID |
EOZs3e1upqq |
| Name |
9S,11R-(+)-Ascosalitoxin |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-5-8(2)14(18)9(3)11-6-13(17)10(4)15(19)12(11)7-16/h6-9,17,19H,5H2,1-4H3/t8-,9+/m1/s1 |
| InChIKey |
PNGIBNMUXNYIFZ-BDAKNGLRSA-N |
| Instrument Name |
Waters 2695 LC/JEOL SX 102 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300327y |
| Molecular Weight |
264.321 g/mol |
| Optical Rotation |
[a]D =+153 (c = 0.1, CHCl3) |
| Reported Formula |
C15H20O4 |
| SMILES |
Oc1c(c(c(c(c1)[C@@](C(=O)[C@](C)(CC)[H])(C)[H])C=O)O)C |
| SPLASH |
splash10-01qi-4930000000-506ed12802465e42e21d |
| Source of Spectrum |
G4-75-1575-2 |
| Wiley ID |
1854827 |
