| SpectraBase Spectrum ID |
DPK5vmg5DMX |
| Name |
8,4',9'-Trihydroxy-3,3'-dimethoxy-9,7'-epoxylignan 4-o-.beta.-D-glucopyranoside, 7me derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
636.314576974 u |
| Formula |
C33H48O12 |
| InChI |
InChI=1S/C33H48O12/c1-34-17-22-28(21-11-13-23(36-3)26(15-21)38-5)43-19-33(22,42-9)16-20-10-12-24(25(14-20)37-4)44-32-31(41-8)30(40-7)29(39-6)27(45-32)18-35-2/h10-15,22,27-32H,16-19H2,1-9H3/t22-,27-,28-,29-,30+,31-,32-,33-/m1/s1 |
| InChIKey |
WIVOVQDDUHFTRT-MREIYEABSA-N |
| Molecular Weight |
636.735 g/mol |
| SMILES |
COC=1C=CC([C@]2(OC[C@@](OC)([C@@]2(COC)[H])CC=2C=CC(=C(OC)C2)O[C@@]2(O[C@](COC)([C@@](OC)([C@](OC)([C@]2(OC)[H])[H])[H])[H])[H])[H])=CC1OC |
