| SpectraBase Compound ID | AOV71gnyjmM |
|---|---|
| InChI | InChI=1S/C28H50O5Si2/c1-21(29)31-19-22(18-26(30)33-35(8,9)10)12-14-24-23(20-32-34(5,6)7)13-15-25-27(2,3)16-11-17-28(24,25)4/h13,18,24-25H,11-12,14-17,19-20H2,1-10H3/b22-18+/t24-,25-,28+/m1/s1 |
| InChIKey | JAQZQLMSFQIEAX-LSJXTQDSSA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C28H50O5Si2 |
| Exact Mass | 522.319678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JmB0Fby8L3 |
|---|---|
| Name | 16-Acetoxy-17-hydroxy-7,13Z-labdadien-15-oic acid, 2tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.319677775 u |
| Formula | C28H50O5Si2 |
| InChI | InChI=1S/C28H50O5Si2/c1-21(29)31-19-22(18-26(30)33-35(8,9)10)12-14-24-23(20-32-34(5,6)7)13-15-25-27(2,3)16-11-17-28(24,25)4/h13,18,24-25H,11-12,14-17,19-20H2,1-10H3/b22-18+/t24-,25-,28+/m1/s1 |
| InChIKey | JAQZQLMSFQIEAX-LSJXTQDSSA-N |
| Molecular Weight | 522.873 g/mol |
| SMILES | C1CC([C@]2(CC=C([C@]([C@@]2(C1)C)(CC\C(COC(C)=O)=C/C(O[Si](C)(C)C)=O)[H])CO[Si](C)(C)C)[H])(C)C |