![(6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-3'-hydroxy-6'-methyloct-6'-ene-2'-carbonitrile](/api/spectrum/KFPdHvqwBN/structure.png?h=300&w=458 "(6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(t-butyldiphenylsilyl)oxy]-3'-hydroxy-6'-methyloct-6'-ene-2'-carbonitrile")
| SpectraBase Compound ID | FP087iYzZDX |
|---|---|
| InChI | InChI=1S/C46H67NO2Si/c1-34(28-32-49-50(43(3,4)5,37-17-12-10-13-18-37)38-19-14-11-15-20-38)21-25-40(48)36(33-47)23-24-39-35(2)22-26-42-45(39,8)31-27-41-44(6,7)29-16-30-46(41,42)9/h10-15,17-20,22,28,36,39-42,48H,16,21,23-27,29-32H2,1-9H3/b34-28+/t36?,39-,40?,41+,42+,45+,46+/m0/s1 |
| InChIKey | AKLTVLQACNKDON-FHFNGLMQSA-N |
| Mol Weight | 694.1 g/mol |
| Molecular Formula | C46H67NO2Si |
| Exact Mass | 693.494107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFPdHvqwBN |
|---|---|
| Name | (6'E)-1'-(Isocopal-12-en-15-yl)-8'-[(T-butyldiphenylsilyl)oxy]-3'-hydroxy-6'-methyloct-6'-ene-2'-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 693.494106934 u |
| Formula | C46H67NO2Si |
| InChI | InChI=1S/C46H67NO2Si/c1-34(28-32-49-50(43(3,4)5,37-17-12-10-13-18-37)38-19-14-11-15-20-38)21-25-40(48)36(33-47)23-24-39-35(2)22-26-42-45(39,8)31-27-41-44(6,7)29-16-30-46(41,42)9/h10-15,17-20,22,28,36,39-42,48H,16,21,23-27,29-32H2,1-9H3/b34-28+/t36?,39-,40?,41+,42+,45+,46+/m0/s1 |
| InChIKey | AKLTVLQACNKDON-FHFNGLMQSA-N |
| Molecular Weight | 694.132 g/mol |
| SMILES | [C@]12([C@]([C@]3([C@](C(CCC3)(C)C)([H])CC1)C)(CC=C([C@@]2(CCC(C#N)C(CC\C(=C\CO[Si](C(C)(C)C)(C=1C=CC=CC1)C=1C=CC=CC1)C)O)[H])C)[H])C |