| SpectraBase Compound ID | K3PDuxAnacO |
|---|---|
| InChI | InChI=1S/C50H55NO9/c1-50(2,3)60-49(54)44-41(29-43(52)51-48(44)53)45(57-32-38-23-13-6-14-24-38)47(59-34-40-27-17-8-18-28-40)46(58-33-39-25-15-7-16-26-39)42(56-31-37-21-11-5-12-22-37)35-55-30-36-19-9-4-10-20-36/h4-28,41-42,44-47H,29-35H2,1-3H3,(H,51,52,53)/t41?,42-,44?,45+,46-,47-/m0/s1 |
| InChIKey | QPURLFUOWHNGRC-XVGONKGGSA-N |
| Mol Weight | 814.0 g/mol |
| Molecular Formula | C50H55NO9 |
| Exact Mass | 813.387682 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFWTn3Bx8aR |
|---|---|
| Name | QPURLFUOWHNGRC-XVGONKGGSA-N |
| Compound Number | A6* |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H55NO9 |
| InChI | InChI=1S/C50H55NO9/c1-50(2,3)60-49(54)44-41(29-43(52)51-48(44)53)45(57-32-38-23-13-6-14-24-38)47(59-34-40-27-17-8-18-28-40)46(58-33-39-25-15-7-16-26-39)42(56-31-37-21-11-5-12-22-37)35-55-30-36-19-9-4-10-20-36/h4-28,41-42,44-47H,29-35H2,1-3H3,(H,51,52,53)/t41?,42-,44?,45+,46-,47-/m0/s1 |
| InChIKey | QPURLFUOWHNGRC-XVGONKGGSA-N |
| Literature Reference Author | H.M.PARK,D.M.PIATAK,J.R.PETERSON,A.M.CLARK |
| Literature Reference Citation | CAN.J.CHEM.,70,1662(1992) |
| Literature Reference DOI | 10.1139/v92-208 |
| Molecular Weight | 813.988 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP4722 |