| SpectraBase Spectrum ID |
jtbL7M4QkZ |
| Name |
Heteroplexisolide E |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-9(2)7-12-8-11(13(15)16-12)6-4-5-10(3)14/h6-7,12H,4-5,8H2,1-3H3/b11-6+/t12-/m1/s1 |
| InChIKey |
HAGKOYTUAINBNR-IGEMTJHASA-N |
| Instrument Name |
Micromass Autospec Ultima ETOF |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np900213w |
| Molecular Weight |
222.284 g/mol |
| Optical Rotation |
[a]D20 = +15.6 (c = 0.27, MeOH) |
| Reported Formula |
C13H18O3 |
| SMILES |
[C@]1(OC(\C(C1)=C\CCC(=O)C)=O)(C=C(C)C)[H] |
| SPLASH |
splash10-0a4i-9500000000-f55c0e4ff6cd14200da8 |
| Source of Spectrum |
G4-72-SM39-7 |
| Wiley ID |
1872235 |
