| SpectraBase Compound ID | CUfavIG6k4U |
|---|---|
| InChI | InChI=1S/C34H39NO9S/c1-40-22-15-13-21(14-16-22)19-42-32-28(18-36)44-33(45-17-7-12-29(37)41-2)30(31(32)38)35-34(39)43-20-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27/h3-6,8-11,13-16,27-28,30-33,36,38H,7,12,17-20H2,1-2H3,(H,35,39)/t28-,30-,31-,32-,33+/m1/s1 |
| InChIKey | PLZJTETXMBPASH-CTARAAFWSA-N |
| Mol Weight | 637.7 g/mol |
| Molecular Formula | C34H39NO9S |
| Exact Mass | 637.234553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGXRW2wCaBe |
|---|---|
| Name | PLZJTETXMBPASH-CTARAAFWSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H39NO9S |
| InChI | InChI=1S/C34H39NO9S/c1-40-22-15-13-21(14-16-22)19-42-32-28(18-36)44-33(45-17-7-12-29(37)41-2)30(31(32)38)35-34(39)43-20-27-25-10-5-3-8-23(25)24-9-4-6-11-26(24)27/h3-6,8-11,13-16,27-28,30-33,36,38H,7,12,17-20H2,1-2H3,(H,35,39)/t28-,30-,31-,32-,33+/m1/s1 |
| InChIKey | PLZJTETXMBPASH-CTARAAFWSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 637.745 g/mol |
| Source File Reference | MHKO20474 |