| SpectraBase Compound ID | GqONLkKQ5x1 |
|---|---|
| InChI | InChI=1S/C36H52O2Si/c1-27(26-31(37)33-28(2)20-21-32-35(6,7)23-15-24-36(32,33)8)22-25-38-39(34(3,4)5,29-16-11-9-12-17-29)30-18-13-10-14-19-30/h9-14,16-20,26-27,32-33,37H,15,21-25H2,1-8H3/b31-26+/t27?,32?,33-,36+/m1/s1 |
| InChIKey | ARUVVSKGXLRSQJ-OQOGRZIGSA-N |
| Mol Weight | 544.9 g/mol |
| Molecular Formula | C36H52O2Si |
| Exact Mass | 544.373657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrM0lvL3h9L |
|---|---|
| Name | (S,R)-15-(Tert-butyldiphenylsilyloxy)-rac-labd-7,12-dien-11-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 544.373657447 u |
| Formula | C36H52O2Si |
| InChI | InChI=1S/C36H52O2Si/c1-27(26-31(37)33-28(2)20-21-32-35(6,7)23-15-24-36(32,33)8)22-25-38-39(34(3,4)5,29-16-11-9-12-17-29)30-18-13-10-14-19-30/h9-14,16-20,26-27,32-33,37H,15,21-25H2,1-8H3/b31-26+/t27?,32?,33-,36+/m1/s1 |
| InChIKey | ARUVVSKGXLRSQJ-OQOGRZIGSA-N |
| Molecular Weight | 544.895 g/mol |
| SMILES | [C@@]12([C@@](\C(=C/C(CCO[Si](C(C)(C)C)(C3=CC=CC=C3)C=3C=CC=CC3)C)O)(C(C)=CCC2C(C)(C)CCC1)[H])C |