| SpectraBase Compound ID | 1MmNQLm1yiA |
|---|---|
| InChI | InChI=1S/C36H52O3Si/c1-26-20-21-29-34(5,6)22-15-23-35(29,7)30(26)31(37)32-36(8,39-32)24-25-38-40(33(2,3)4,27-16-11-9-12-17-27)28-18-13-10-14-19-28/h9-14,16-20,29-32,37H,15,21-25H2,1-8H3/t29?,30?,31?,32-,35+,36+/m1/s1 |
| InChIKey | CQQDIAWQUMKELN-PPEAIMKKSA-N |
| Mol Weight | 560.9 g/mol |
| Molecular Formula | C36H52O3Si |
| Exact Mass | 560.368572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5I5XQmuQU2e |
|---|---|
| Name | (11Rs,12RS,13SR)-15-(tert-butyldiphenylsilyloxy)-12,13-epoxy-rac-labd-7-en-11-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.368572066 u |
| Formula | C36H52O3Si |
| InChI | InChI=1S/C36H52O3Si/c1-26-20-21-29-34(5,6)22-15-23-35(29,7)30(26)31(37)32-36(8,39-32)24-25-38-40(33(2,3)4,27-16-11-9-12-17-27)28-18-13-10-14-19-28/h9-14,16-20,29-32,37H,15,21-25H2,1-8H3/t29?,30?,31?,32-,35+,36+/m1/s1 |
| InChIKey | CQQDIAWQUMKELN-PPEAIMKKSA-N |
| Molecular Weight | 560.894 g/mol |
| SMILES | [C@]1(O[C@]1(CCO[Si](C(C)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1)C)(C(C1[C@@]2(C(C(C)(C)CCC2)CC=C1C)C)O)[H] |