| SpectraBase Compound ID | GrbJMXNDnjJ |
|---|---|
| InChI | InChI=1S/C45H57O3PS3/c1-42-22-18-32(26-28(42)6-12-34-36-14-16-40(46)44(36,3)24-20-38(34)42)51-49(50,31-10-8-30(48-5)9-11-31)52-33-19-23-43(2)29(27-33)7-13-35-37-15-17-41(47)45(37,4)25-21-39(35)43/h6-11,26-27,34-39H,12-25H2,1-5H3/t34-,35-,36-,37-,38-,39-,42-,43-,44-,45-/m0/s1 |
| InChIKey | HIIZYMOKCHNIJC-JMROTHHPSA-N |
| Mol Weight | 773.1 g/mol |
| Molecular Formula | C45H57O3PS3 |
| Exact Mass | 772.320746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMHBXDBa4wk |
|---|---|
| Name | HIIZYMOKCHNIJC-JMROTHHPSA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H57O3PS3 |
| InChI | InChI=1S/C45H57O3PS3/c1-42-22-18-32(26-28(42)6-12-34-36-14-16-40(46)44(36,3)24-20-38(34)42)51-49(50,31-10-8-30(48-5)9-11-31)52-33-19-23-43(2)29(27-33)7-13-35-37-15-17-41(47)45(37,4)25-21-39(35)43/h6-11,26-27,34-39H,12-25H2,1-5H3/t34-,35-,36-,37-,38-,39-,42-,43-,44-,45-/m0/s1 |
| InChIKey | HIIZYMOKCHNIJC-JMROTHHPSA-N |
| Literature Reference Author | N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC |
| Literature Reference Citation | MOLECULES,15,3462(2010) |
| Literature Reference DOI | 10.3390/molecules15053462 |
| Molecular Weight | 773.100 g/mol |
| Sample ID | 70907 |
| Solvent | CDCl3 |