| SpectraBase Spectrum ID |
1vVq8E1aMf1 |
| Name |
Heteroplexisolide A |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H26O4 |
| InChI |
InChI=1S/C20H26O4/c1-14(2)10-18-12-17(20(22)24-18)9-5-7-15(3)6-4-8-16-11-19(21)23-13-16/h6,9-11,18H,4-5,7-8,12-13H2,1-3H3/b15-6+,17-9+/t18-/m1/s1 |
| InChIKey |
CKWCZHSERNCFJJ-VSHYEWDMSA-N |
| Instrument Name |
Micromass Autospec Ultima ETOF |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np900213w |
| Molecular Weight |
330.424 g/mol |
| Optical Rotation |
[a]D20 = +31.3 (c = 1.38, MeOH) |
| Reported Formula |
C20H26O4 |
| SMILES |
[C@]1(OC(\C(C1)=C\CC\C(=C\CCC1=CC(OC1)=O)C)=O)(C=C(C)C)[H] |
| SPLASH |
splash10-053u-7920000000-b90cfa952b5d5859f3cf |
| Source of Spectrum |
G4-72-SM17-3 |
| Wiley ID |
1872234 |
