| SpectraBase Spectrum ID |
80QeiVNZXs7 |
| Name |
Methyl rosmarinate |
| Appearance |
Colorless amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18O8 |
| InChI |
InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+/t17-/m1/s1 |
| InChIKey |
XHALVRQBZGZHFE-BBOMDTFKSA-N |
| Instrument Name |
Finnigan MAT 12 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.jscs.2021.101324 |
| Molecular Weight |
374.345 g/mol |
| Optical Rotation |
[a]D22 = +139 (c = 0.55, MeOH) |
| Reported Formula |
C19H18O8 |
| SMILES |
Oc1c(cc(\C=C\C(O[C@](Cc2ccc(c(c2)O)O)(C(OC)=O)[H])=O)cc1)O |
| SPLASH |
splash10-0096-1900000000-b0bf1d63fe8be9c4a3c7 |
| Source of Spectrum |
SCS-25-SM5-10 |
| Wiley ID |
1879634 |
