| SpectraBase Spectrum ID |
CC7TWP38br3 |
| Name |
Methylated-aceratioside |
| Alternate Name(s) |
methyl 5-(.beta.-D-glucopyranosyloxy)-7-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylate
Methyl 7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate-5-.beta.-D-glucoside |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H26O9 |
| InChI |
InChI=1S/C19H26O9/c1-25-11-6-10-5-9(18(24)26-2)3-4-12(10)13(7-11)27-19-17(23)16(22)15(21)14(8-20)28-19/h6-7,9,14-17,19-23H,3-5,8H2,1-2H3/t9?,14-,15-,16+,17-,19-/m1/s1 |
| InChIKey |
BYWHBFRFVZPLRO-LMUXCDLQSA-N |
| Molecular Weight |
398.408 g/mol |
| SMILES |
O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(Oc1c2c(CC(C(=O)OC)CC2)cc(c1)OC)[H])[H])(O)[H])[H] |
| SPLASH |
splash10-000i-0091000000-cedca4cdea110ee49363 |
| Source of Spectrum |
X2-53-1191-3 |
| Wiley ID |
1603722 |
