| SpectraBase Compound ID | HQZyX5M6OSb |
|---|---|
| InChI | InChI=1S/C33H40O11S/c1-19-28(41-20(2)34)29(42-21(3)35)30(43-22(4)36)32(40-19)44-27-15-8-9-16-33(27,38)24-12-10-11-23(17-24)18-45-26-14-7-6-13-25(26)31(37)39-5/h6-7,10-14,17,19,27-30,32,38H,8-9,15-16,18H2,1-5H3/t19-,27+,28+,29+,30-,32-,33+/m0/s1 |
| InChIKey | PGTAPLAAWNVAHF-OBZHUQFNSA-N |
| Mol Weight | 644.7 g/mol |
| Molecular Formula | C33H40O11S |
| Exact Mass | 644.229133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZzm0kgmxf4 |
|---|---|
| Name | PGTAPLAAWNVAHF-OBZHUQFNSA-N |
| Compound Number | 1649 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O11S |
| InChI | InChI=1S/C33H40O11S/c1-19-28(41-20(2)34)29(42-21(3)35)30(43-22(4)36)32(40-19)44-27-15-8-9-16-33(27,38)24-12-10-11-23(17-24)18-45-26-14-7-6-13-25(26)31(37)39-5/h6-7,10-14,17,19,27-30,32,38H,8-9,15-16,18H2,1-5H3/t19-,27+,28+,29+,30-,32-,33+/m0/s1 |
| InChIKey | PGTAPLAAWNVAHF-OBZHUQFNSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 644.734 g/mol |
| Sample ID | 3681 |
| Solvent | CDCl3 |