![(3S,4S)-14-[(2S,3R,4R)-3-benzoxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-tosyl-azetidin-2-yl]-3-methyl-tetradec-1-en-4-ol](/api/spectrum/F1WMNxchG7B/structure.png?h=300&w=458 "(3S,4S)-14-[(2S,3R,4R)-3-benzoxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-tosyl-azetidin-2-yl]-3-methyl-tetradec-1-en-4-ol")
| SpectraBase Compound ID | 44dQ76bJCdJ |
|---|---|
| InChI | InChI=1S/C39H63NO5SSi/c1-9-32(3)37(41)24-20-15-13-11-10-12-14-19-23-35-38(44-29-33-21-17-16-18-22-33)36(30-45-47(7,8)39(4,5)6)40(35)46(42,43)34-27-25-31(2)26-28-34/h9,16-18,21-22,25-28,32,35-38,41H,1,10-15,19-20,23-24,29-30H2,2-8H3/t32-,35-,36+,37-,38+/m0/s1 |
| InChIKey | JOYLWUQIOVLMGN-BBMDXEPMSA-N |
| Mol Weight | 686.1 g/mol |
| Molecular Formula | C39H63NO5SSi |
| Exact Mass | 685.419622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1WMNxchG7B |
|---|---|
| Name | (3S,4S)-14-[(2S,3R,4R)-3-Benzoxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-tosyl-azetidin-2-yl]-3-methyl-tetradec-1-en-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 685.419621837 u |
| Formula | C39H63NO5SSi |
| InChI | InChI=1S/C39H63NO5SSi/c1-9-32(3)37(41)24-20-15-13-11-10-12-14-19-23-35-38(44-29-33-21-17-16-18-22-33)36(30-45-47(7,8)39(4,5)6)40(35)46(42,43)34-27-25-31(2)26-28-34/h9,16-18,21-22,25-28,32,35-38,41H,1,10-15,19-20,23-24,29-30H2,2-8H3/t32-,35-,36+,37-,38+/m0/s1 |
| InChIKey | JOYLWUQIOVLMGN-BBMDXEPMSA-N |
| SMILES | C=1(S(N2[C@](CO[Si](C(C)(C)C)(C)C)([C@@]([C@@]2(CCCCCCCCCC[C@@]([C@](C=C)(C)[H])(O)[H])[H])(OCC2=CC=CC=C2)[H])[H])(=O)=O)C=CC(=CC1)C |