| SpectraBase Compound ID | GZq76Xptz0e |
|---|---|
| InChI | InChI=1S/C50H76N2O6/c1-33(2)19-15-21-35(5)23-17-25-37(7)31-39(51-41(53)49-29-27-47(13,43(55)57-49)45(49,9)10)40(32-38(8)26-18-24-36(6)22-16-20-34(3)4)52-42(54)50-30-28-48(14,44(56)58-50)46(50,11)12/h19-20,23-24,31-32,39-40H,15-18,21-22,25-30H2,1-14H3,(H,51,53)(H,52,54)/b35-23+,36-24+,37-31+,38-32+/t39?,40?,47-,48-,49+,50+/m0/s1 |
| InChIKey | VVBYQKRPLOOBFP-GRWVTJFUSA-N |
| Mol Weight | 801.2 g/mol |
| Molecular Formula | C50H76N2O6 |
| Exact Mass | 800.570338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9M60UBURXTs |
|---|---|
| Name | nan |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 800.570338169 u |
| Formula | C50H76N2O6 |
| InChI | InChI=1S/C50H76N2O6/c1-33(2)19-15-21-35(5)23-17-25-37(7)31-39(51-41(53)49-29-27-47(13,43(55)57-49)45(49,9)10)40(32-38(8)26-18-24-36(6)22-16-20-34(3)4)52-42(54)50-30-28-48(14,44(56)58-50)46(50,11)12/h19-20,23-24,31-32,39-40H,15-18,21-22,25-30H2,1-14H3,(H,51,53)(H,52,54)/b35-23+,36-24+,37-31+,38-32+/t39?,40?,47-,48-,49+,50+/m0/s1 |
| InChIKey | VVBYQKRPLOOBFP-GRWVTJFUSA-N |
| Molecular Weight | 801.166 g/mol |
| SMILES | N(C([C@]12CC[C@@](C(O2)=O)(C1(C)C)C)=O)C(C(\C=C/(C)CC\C=C/(C)CCC=C(C)C)NC(=O)[C@]12CC[C@@](C(O2)=O)(C1(C)C)C)\C=C/(C)CC\C=C/(C)CCC=C(C)C |