![2-(1-{(S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7A-methyloctahydro-1H-inden-1-yl]propyl}-1H-tetrazol-5-yl)propan-2-ol](/api/spectrum/EZQg1oJruy7/structure.png?h=300&w=458 "2-(1-{(S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7A-methyloctahydro-1H-inden-1-yl]propyl}-1H-tetrazol-5-yl)propan-2-ol")
| SpectraBase Compound ID | 2wFMptXDEZX |
|---|---|
| InChI | InChI=1S/C38H68N4O3Si2/c1-26(25-42-34(37(9,10)43)39-40-41-42)31-20-21-32-28(17-16-22-38(31,32)11)18-19-29-23-30(44-46(12,13)35(3,4)5)24-33(27(29)2)45-47(14,15)36(6,7)8/h18-19,26,30-33,43H,2,16-17,20-25H2,1,3-15H3/b28-18+,29-19+/t26-,30-,31-,32+,33+,38-/m1/s1 |
| InChIKey | GVBARIZNVPRASY-RKHKWXJZSA-N |
| Mol Weight | 685.2 g/mol |
| Molecular Formula | C38H68N4O3Si2 |
| Exact Mass | 684.482995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EZQg1oJruy7 |
|---|---|
| Name | 2-(1-{(S)-2-[(1R,3as,7ar,E)-4-((E)-2-{(3S,5R)-3,5-bis[(Tert-butyldimethylsilyl)oxy]-2-methylenecyclohexylidene}ethylidene)-7A-methyloctahydro-1H-inden-1-yl]propyl}-1H-tetrazol-5-yl)propan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 684.482995133 u |
| Formula | C38H68N4O3Si2 |
| InChI | InChI=1S/C38H68N4O3Si2/c1-26(25-42-34(37(9,10)43)39-40-41-42)31-20-21-32-28(17-16-22-38(31,32)11)18-19-29-23-30(44-46(12,13)35(3,4)5)24-33(27(29)2)45-47(14,15)36(6,7)8/h18-19,26,30-33,43H,2,16-17,20-25H2,1,3-15H3/b28-18+,29-19+/t26-,30-,31-,32+,33+,38-/m1/s1 |
| InChIKey | GVBARIZNVPRASY-RKHKWXJZSA-N |
| SMILES | C=1(N(N=NN1)C[C@]([C@@]1([C@@]2([C@](\C(=C\C=C\3C([C@@](O[Si](C(C)(C)C)(C)C)(C[C@@](C3)(O[Si](C(C)(C)C)(C)C)[H])[H])=C)CCC2)(CC1)[H])C)[H])(C)[H])C(O)(C)C |