| SpectraBase Compound ID | Jbcu59x2n5k |
|---|---|
| InChI | InChI=1S/C33H61NO10S.Na/c1-2-41-31(36)21-17-13-12-16-20-30-32-29(35)22-24-33(43-30,44-32)23-18-14-10-8-6-4-3-5-7-9-11-15-19-25-40-26-28(34)27-42-45(37,38)39;/h17,21,28-30,32,35H,2-16,18-20,22-27,34H2,1H3,(H,37,38,39);/q;+1/p-1/b21-17+;/t28-,29+,30+,32-,33-;/m0./s1 |
| InChIKey | TZKSGBMQOZNUFF-YQYBGKLMSA-M |
| Mol Weight | 685.9 g/mol |
| Molecular Formula | C33H60NNaO10S |
| Exact Mass | 685.383563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWibgntzLPA |
|---|---|
| Name | TZKSGBMQOZNUFF-YQYBGKLMSA-M |
| Compound Number | (30-S)-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H60NNaO10S |
| InChI | InChI=1S/C33H61NO10S.Na/c1-2-41-31(36)21-17-13-12-16-20-30-32-29(35)22-24-33(43-30,44-32)23-18-14-10-8-6-4-3-5-7-9-11-15-19-25-40-26-28(34)27-42-45(37,38)39;/h17,21,28-30,32,35H,2-16,18-20,22-27,34H2,1H3,(H,37,38,39);/q;+1/p-1/b21-17+;/t28-,29+,30+,32-,33-;/m0./s1 |
| InChIKey | TZKSGBMQOZNUFF-YQYBGKLMSA-M |
| Literature Reference Author | H.KIYOTA,D.J.DIXON,C.K.LUSCOMBE,S.HETTSTEDT,S.V.LEY |
| Literature Reference Citation | ORG.LETTERS,4,3223(2002) |
| Literature Reference DOI | 10.1021/ol026421y |
| Molecular Weight | 685.890 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMZ25721 |