| SpectraBase Compound ID | 1qJAC8WodN9 |
|---|---|
| InChI | InChI=1S/C30H38O4SSi/c1-6-16-28(31)24(2)29(23-35(32,33)25-17-10-7-11-18-25)34-36(30(3,4)5,26-19-12-8-13-20-26)27-21-14-9-15-22-27/h6-15,17-22,24,28-29,31H,1,16,23H2,2-5H3/t24-,28+,29-/m1/s1 |
| InChIKey | UAHLZPDPHZBVCD-OFQAEJFBSA-N |
| Mol Weight | 522.8 g/mol |
| Molecular Formula | C30H38O4SSi |
| Exact Mass | 522.226007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J662cqizx16 |
|---|---|
| Name | (4S,5R,6S)-6-Tert-butyldiphenylsilyloxy-4-hydroxy-5-methyl-7-phenylsulfonyl-1-heptene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 522.226007409 u |
| Formula | C30H38O4SSi |
| InChI | InChI=1S/C30H38O4SSi/c1-6-16-28(31)24(2)29(23-35(32,33)25-17-10-7-11-18-25)34-36(30(3,4)5,26-19-12-8-13-20-26)27-21-14-9-15-22-27/h6-15,17-22,24,28-29,31H,1,16,23H2,2-5H3/t24-,28+,29-/m1/s1 |
| InChIKey | UAHLZPDPHZBVCD-OFQAEJFBSA-N |
| Molecular Weight | 522.775 g/mol |
| SMILES | C(S(=O)(=O)C=1C=CC=CC1)[C@@](O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)([C@@]([C@@](O)(CC=C)[H])(C)[H])[H] |