| SpectraBase Spectrum ID |
FFc0Rdhs302 |
| Name |
.beta.-D-Glucopyranoside, 6-hydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl, 6ac derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
642.288756147 u |
| Formula |
C31H46O14 |
| InChI |
InChI=1S/C31H46O14/c1-15(39-18(4)33)11-12-23-16(2)26(24(40-19(5)34)13-31(23,9)10)45-30-29(43-22(8)37)28(42-21(7)36)27(41-20(6)35)25(44-30)14-38-17(3)32/h11-12,15-16,23-30H,13-14H2,1-10H3/b12-11+/t15?,16?,23?,24?,25-,26?,27-,28+,29-,30+/m1/s1 |
| InChIKey |
LSGMXNWZWMOHLT-SIXLTRGCSA-N |
| Molecular Weight |
642.695 g/mol |
| SMILES |
[C@@]1(OC2C(C(C(CC2OC(=O)C)(C)C)\C=C\C(C)OC(=O)C)C)([C@](OC(C)=O)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H] |
![.beta.-D-Glucopyranoside, 6-hydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl, 6ac derivative](/api/spectrum/FFc0Rdhs302/structure.png?h=300&w=458 ".beta.-D-Glucopyranoside, 6-hydroxy-3-[(1E)-3-hydroxy-1-buten-1-yl]-2,4,4-trimethylcyclohexyl, 6ac derivative")
