| SpectraBase Compound ID | AcyBWVPpse8 |
|---|---|
| InChI | InChI=1S/C25H33N5O7S/c1-3-16(25(36)37)27-20(33)12-18(15-8-5-4-6-9-15)29-24(38)19(13-31)28-23(35)21(14(2)32)30-22(34)17-10-7-11-26-17/h4-11,14,16,18-19,21,26,31-32H,3,12-13H2,1-2H3,(H,27,33)(H,28,35)(H,29,38)(H,30,34)(H,36,37)/t14?,16-,18+,19-,21-/m0/s1 |
| InChIKey | BVYSKMATWZEZOL-JSHFANQXSA-N |
| Mol Weight | 547.6 g/mol |
| Molecular Formula | C25H33N5O7S |
| Exact Mass | 547.21007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BB0Qihe5h4S |
|---|---|
| Name | ACYCLIC-THIOASTIN-B |
| Compound Number | 7 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C25H33N5O7S/c1-3-16(25(36)37)27-20(33)12-18(15-8-5-4-6-9-15)29-24(38)19(13-31)28-23(35)21(14(2)32)30-22(34)17-10-7-11-26-17/h4-11,14,16,18-19,21,26,31-32H,3,12-13H2,1-2H3,(H,27,33)(H,28,35)(H,29,38)(H,30,34)(H,36,37)/t14?,16-,18+,19-,21-/m0/s1 |
| InChIKey | BVYSKMATWZEZOL-JSHFANQXSA-N |
| Literature Reference | J.CHEM.SOC.PERKIN-1,2327(1995) H.MORITA,S.NAGASHIMA,K.TAKEYA,H.ITOKAWA |
| Solvent | Dimethyl sulfoxide-d6 |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |