| SpectraBase Spectrum ID |
2fDbJkeR7R5 |
| Name |
3-((.beta.-D-glucopyranosyloxy)methyl)-2,4,4-trimethylcyclohex-2-en-1-ol, 5me derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.261753557 u |
| Formula |
C21H38O7 |
| InChI |
InChI=1S/C21H38O7/c1-13-14(21(2,3)10-9-15(13)23-5)11-27-20-19(26-8)18(25-7)17(24-6)16(28-20)12-22-4/h15-20H,9-12H2,1-8H3/t15?,16-,17-,18+,19-,20-/m1/s1 |
| InChIKey |
HVRDHMXQTYXMHJ-FJVJWUHISA-N |
| Molecular Weight |
402.528 g/mol |
| SMILES |
C(O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])C1=C(C)C(OC)CCC1(C)C |
