| SpectraBase Spectrum ID |
EI92WnMEkp3 |
| Name |
7-o-.beta.-D-Acetylglucoside-(methylene-1',3'-dioxy)isoflavone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.147905568 u |
| Formula |
C30H28O14 |
| InChI |
InChI=1S/C30H28O14/c1-14(31)36-12-25-27(40-15(2)32)28(41-16(3)33)29(42-17(4)34)30(44-25)43-19-6-7-20-23(10-19)37-11-21(26(20)35)18-5-8-22-24(9-18)39-13-38-22/h5-11,25,27-30H,12-13H2,1-4H3/t25-,27?,28-,29-,30-/m1/s1 |
| InChIKey |
TXERQNGJFGFYRJ-RYIQDBBLSA-N |
| Molecular Weight |
612.540 g/mol |
| SMILES |
[C@@]1([C@@](C(OC(=O)C)[C@](O[C@]1(OC=1C=C2OC=C(C(C2=CC1)=O)C=1C=C2OCOC2=CC1)[H])(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963103 |
