| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ADkuua93DU4 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| 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 | 800.5684 |
| SMILES | N(C(C(NC([C@@]12C(C)(C)[C@](C)(C(=O)O2)CC1)=O)\C=C\(CC\C=C\(CCC=C(C)C)C)C)\C=C\(CC\C=C\(CCC=C(C)C)C)C)C(=O)[C@]12C(C)(C)[C@@](C)(CC2)C(=O)O1 |
| SPLASH | splash10-0ue9-9740200000-d1199130f4e5fdef7939 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |