![3.beta.-[(T-butyldimethylsilyl)oxy]-22.xi.-(phenylseleno)-14.alpha.,20.xi.-card-5-enolide](/api/spectrum/JjP8Oa9X28X/structure.png?h=300&w=458 "3.beta.-[(T-butyldimethylsilyl)oxy]-22.xi.-(phenylseleno)-14.alpha.,20.xi.-card-5-enolide")
| SpectraBase Compound ID | DroEP3JSgBf |
|---|---|
| InChI | InChI=1S/C35H52O3SeSi/c1-33(2,3)40(6,7)38-24-17-19-34(4)23(21-24)13-14-26-28-15-16-29(35(28,5)20-18-30(26)34)27-22-37-32(36)31(27)39-25-11-9-8-10-12-25/h8-13,24,26-31H,14-22H2,1-7H3/t24-,26-,27?,28-,29?,30-,31?,34-,35-/m0/s1 |
| InChIKey | VZTARFZXAIEGDQ-UGGQAJKPSA-N |
| Mol Weight | 627.9 g/mol |
| Molecular Formula | C35H52O3SeSi |
| Exact Mass | 628.285094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JjP8Oa9X28X |
|---|---|
| Name | 3.beta.-[(T-butyldimethylsilyl)oxy]-22.xi.-(phenylseleno)-14.alpha.,20.xi.-card-5-enolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 628.285094066 u |
| Formula | C35H52O3SeSi |
| InChI | InChI=1S/C35H52O3SeSi/c1-33(2,3)40(6,7)38-24-17-19-34(4)23(21-24)13-14-26-28-15-16-29(35(28,5)20-18-30(26)34)27-22-37-32(36)31(27)39-25-11-9-8-10-12-25/h8-13,24,26-31H,14-22H2,1-7H3/t24-,26-,27?,28-,29?,30-,31?,34-,35-/m0/s1 |
| InChIKey | VZTARFZXAIEGDQ-UGGQAJKPSA-N |
| Molecular Weight | 627.855 g/mol |
| SMILES | [C@@]12(C(C3C(C(=O)OC3)[Se]C=3C=CC=CC3)CC[C@]2([C@@]2(CC=C3[C@@]([C@]2(CC1)[H])(CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])C)[H])[H])C |