| SpectraBase Spectrum ID |
DDReHoLGVO7 |
| Name |
Speciosin B |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H8O4 |
| InChI |
InChI=1S/C10H8O4/c11-7-1-2-8(12)10(9(7)14-10)4-3-6-5-13-6/h1-2,6-7,9,11H,5H2/t6?,7-,9+,10-/m0/s1 |
| InChIKey |
NMVKRQSNUNLTPY-BYQWJPFDSA-N |
| Instrument Name |
VG Autospec-3000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900182m |
| Molecular Weight |
192.170 g/mol |
| Optical Rotation |
[a]D26 = +346.3 (c = 0.40, CHCl3) |
| Reported Formula |
C10H8O4 |
| SMILES |
O[C@@]1([C@@]2([C@](C(C=C1)=O)(O2)C#CC1OC1)[H])[H] |
| SPLASH |
splash10-01ot-9500000000-de3bcd9d20ca55c97560 |
| Source of Spectrum |
G4-72-1408-2 |
| Wiley ID |
1872262 |
