![(E)-[1'-(Isocopal-12-en-15-yl)-4'-[(t-butyldiphenylsilyl)oxy]but-2'-en-2'-yl]methanol](/api/spectrum/KgHO2j9DpNq/structure.png?h=300&w=458 "(E)-[1'-(Isocopal-12-en-15-yl)-4'-[(t-butyldiphenylsilyl)oxy]but-2'-en-2'-yl]methanol")
| SpectraBase Compound ID | Jf4ULwf0wy0 |
|---|---|
| InChI | InChI=1S/C41H60O2Si/c1-31-20-23-37-40(7,28-24-36-39(5,6)26-15-27-41(36,37)8)35(31)22-21-32(30-42)25-29-43-44(38(2,3)4,33-16-11-9-12-17-33)34-18-13-10-14-19-34/h9-14,16-20,25,35-37,42H,15,21-24,26-30H2,1-8H3/b32-25+/t35-,36+,37+,40+,41+/m0/s1 |
| InChIKey | QOGGAZLODSJZIW-DAQPXSCVSA-N |
| Mol Weight | 613.0 g/mol |
| Molecular Formula | C41H60O2Si |
| Exact Mass | 612.436258 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgHO2j9DpNq |
|---|---|
| Name | (E)-[1'-(Isocopal-12-en-15-yl)-4'-[(T-butyldiphenylsilyl)oxy]but-2'-en-2'-yl]methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 612.436257705 u |
| Formula | C41H60O2Si |
| InChI | InChI=1S/C41H60O2Si/c1-31-20-23-37-40(7,28-24-36-39(5,6)26-15-27-41(36,37)8)35(31)22-21-32(30-42)25-29-43-44(38(2,3)4,33-16-11-9-12-17-33)34-18-13-10-14-19-34/h9-14,16-20,25,35-37,42H,15,21-24,26-30H2,1-8H3/b32-25+/t35-,36+,37+,40+,41+/m0/s1 |
| InChIKey | QOGGAZLODSJZIW-DAQPXSCVSA-N |
| Molecular Weight | 613.014 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@](C(CCC3)(C)C)([H])CC1)C)(CC=C([C@@]2(CC\C(=C/CO[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)CO)[H])C)[H])C |