| SpectraBase Spectrum ID |
Go73H9TLsyG |
| Name |
3-((.beta.-D-glucopyranosyloxy)methyl)-2,4,4-trimethylcyclohex-2-en-1-ol, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
542.236326652 u |
| Formula |
C26H38O12 |
| InChI |
InChI=1S/C26H38O12/c1-13-19(26(7,8)10-9-20(13)34-15(3)28)11-33-25-24(37-18(6)31)23(36-17(5)30)22(35-16(4)29)21(38-25)12-32-14(2)27/h20-25H,9-12H2,1-8H3/t20?,21-,22-,23+,24-,25-/m1/s1 |
| InChIKey |
KSJXWVXEHHBKCJ-SRJJTFDTSA-N |
| Molecular Weight |
542.578 g/mol |
| SMILES |
C1(C(=C(C(CC1)(C)C)CO[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846738 |
