| SpectraBase Compound ID | LRJ1AHwGFjr |
|---|---|
| InChI | InChI=1S/C51H68P2/c1-39(2)19-18-20-40(3)47-31-32-48-46-30-29-41(34-37-52(42-21-10-6-11-22-42)43-23-12-7-13-24-43)50(4,49(46)33-35-51(47,48)5)36-38-53(44-25-14-8-15-26-44)45-27-16-9-17-28-45/h6-17,21-28,39-41,46-49H,18-20,29-38H2,1-5H3/t40-,41-,46+,47-,48+,49+,50+,51-/m1/s1 |
| InChIKey | VJPIRHQGROKVKX-QTRQATLXSA-N |
| Mol Weight | 743.1 g/mol |
| Molecular Formula | C51H68P2 |
| Exact Mass | 742.479626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RBx7TNjT3q |
|---|---|
| Name | 2,3-bis(Diphenylphosphino)-2,3-seco-5.alpha.-cholstane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 742.479626186 u |
| Formula | C51H68P2 |
| InChI | InChI=1S/C51H68P2/c1-39(2)19-18-20-40(3)47-31-32-48-46-30-29-41(34-37-52(42-21-10-6-11-22-42)43-23-12-7-13-24-43)50(4,49(46)33-35-51(47,48)5)36-38-53(44-25-14-8-15-26-44)45-27-16-9-17-28-45/h6-17,21-28,39-41,46-49H,18-20,29-38H2,1-5H3/t40-,41-,46+,47-,48+,49+,50+,51-/m1/s1 |
| InChIKey | VJPIRHQGROKVKX-QTRQATLXSA-N |
| Molecular Weight | 743.053 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]([C@@]([C@]3(CC2)[H])(CCP(C=2C=CC=CC2)C=2C=CC=CC2)C)(CCP(C2=CC=CC=C2)C2=CC=CC=C2)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |