| SpectraBase Spectrum ID |
2Z8dwikfnEd |
| Name |
[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-Dimethoxybenzoate |
| Alternate Name(s) |
Eremoside B
10-O-(3,4-Dimethoxybenzoyl)-6-O-methylcatalpol
((1aS,1bS,2S,5aR,6S,6aS)-6-methoxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1b,5a,6,6a-tetrahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl)methyl 3,4-dimethoxybenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O13 |
| InChI |
InChI=1S/C25H32O13/c1-31-13-5-4-11(8-14(13)32-2)22(30)35-10-25-16-12(20(33-3)21(25)38-25)6-7-34-23(16)37-24-19(29)18(28)17(27)15(9-26)36-24/h4-8,12,15-21,23-24,26-29H,9-10H2,1-3H3/t12-,15-,16-,17-,18+,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey |
KTXYHCMSDKAEDR-KNIQFMSPSA-N |
| Molecular Weight |
540.518 g/mol |
| SMILES |
O[C@]1([C@@]([C@]([C@](O[C@@]1(CO)[H])([H])O[C@]1([C@]2([C@](C=CO1)([H])[C@](OC)([C@@]1(O[C@]21COC(c1cc(c(cc1)OC)OC)=O)[H])[H])[H])[H])(O)[H])(O)[H])[H] |
| SPLASH |
splash10-0159-0902000000-87d513ae350453e33f6c |
| Source of Spectrum |
H-95-591-2 |
| Wiley ID |
1786214 |
![[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-Dimethoxybenzoate](/api/spectrum/2Z8dwikfnEd/structure.png?h=300&w=458 "[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-methoxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl 3,4-Dimethoxybenzoate")
