| SpectraBase Spectrum ID |
3oQTVC7gvxK |
| Name |
(2E)-4,7-Dihydroxy-3,7-dimethyl-2-octen-1-yl .beta.-D-glucopyranoside, 6ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
602.257456018 u |
| Formula |
C28H42O14 |
| InChI |
InChI=1S/C28H42O14/c1-15(22(37-17(3)30)10-12-28(8,9)42-21(7)34)11-13-35-27-26(40-20(6)33)25(39-19(5)32)24(38-18(4)31)23(41-27)14-36-16(2)29/h11,22-27H,10,12-14H2,1-9H3/b15-11+/t22?,23-,24-,25+,26-,27-/m1/s1 |
| InChIKey |
AVHANYSQDUDFNP-VBSFMPQPSA-N |
| Molecular Weight |
602.630 g/mol |
| SMILES |
[C@]1(OC\C=C\(C(CCC(C)(C)OC(=O)C)OC(=O)C)C)(O[C@](COC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@]1(OC(=O)C)[H])[H])[H])[H])[H] |
