| SpectraBase Spectrum ID |
AGSCUy6scSr |
| Name |
(3Z,11Z,7S*,9S*,10R*)-6-chloro-7,10-epoxypentadeca-3,11-dien-1-yne-9,13-diol. |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H21ClO3 |
| InChI |
InChI=1S/C15H21ClO3/c1-3-5-6-7-12(16)15-10-13(18)14(19-15)9-8-11(17)4-2/h1,5-6,8-9,11-15,17-18H,4,7,10H2,2H3/b6-5-,9-8-/t11?,12?,13-,14+,15-/m0/s1 |
| InChIKey |
ABQCOYKPXJFCAW-FFHWLKLLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np800481w |
| Molecular Weight |
284.783 g/mol |
| Optical Rotation |
[a]D20 = -15.0 (c = 0.04, CHCl3) |
| Reported Formula |
C15H21(35)ClO3 |
| SMILES |
O[C@@]1([C@@](\C=C/C(O)CC)(O[C@@](C1)(C(Cl)C\C=C/C#C)[H])[H])[H] |
| SPLASH |
splash10-0a4i-9600000000-001844f12a443a219c5f |
| Source of Spectrum |
G4-72-192-Compound 2 |
| Wiley ID |
1872138 |
