| SpectraBase Compound ID | EB5YbtVdfXl |
|---|---|
| InChI | InChI=1S/C50H68O10/c1-6-30-55-48(53)26-18-17-20-34(2)31-35(3)50-44-29-28-38(56-50)21-13-9-7-8-10-14-22-39(51)46-32-40(52)36(4)41(57-46)24-19-25-42-37(5)45-33-47(58-42)43(59-45)23-15-11-12-16-27-49(54)60-44/h6,9-16,19,23,25,27-29,31,34,36-38,40-47,50,52H,1,7-8,17-18,20-22,24,26,30,32-33H2,2-5H3/b12-11-,13-9+,14-10+,23-15+,25-19+,27-16-,35-31+/t34-,36-,37+,38?,40-,41?,42+,43-,44-,45-,46?,47-,50+/m1/s1 |
| InChIKey | MWRSWJFILXNZSM-KBJCMFCASA-N |
| Mol Weight | 829.1 g/mol |
| Molecular Formula | C50H68O10 |
| Exact Mass | 828.481248 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fl0hfD7Nq9d |
|---|---|
| Name | 21,22-Dideoxy-22-oxosorangicin - allyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H68O10 |
| InChI | InChI=1S/C50H68O10/c1-6-30-55-48(53)26-18-17-20-34(2)31-35(3)50-44-29-28-38(56-50)21-13-9-7-8-10-14-22-39(51)46-32-40(52)36(4)41(57-46)24-19-25-42-37(5)45-33-47(58-42)43(59-45)23-15-11-12-16-27-49(54)60-44/h6,9-16,19,23,25,27-29,31,34,36-38,40-47,50,52H,1,7-8,17-18,20-22,24,26,30,32-33H2,2-5H3/b12-11-,13-9+,14-10+,23-15+,25-19+,27-16-,35-31+/t34-,36-,37+,38?,40-,41?,42+,43-,44-,45-,46?,47-,50+/m1/s1 |
| InChIKey | MWRSWJFILXNZSM-KBJCMFCASA-N |
| Molecular Weight | 829.084 g/mol |
| SMILES | O[C@]1([C@](C2OC(C1)C(=O)C\C=C\CC\C=C\CC1C=C[C@]([C@](\C(=C\[C@@](CCCCC(=O)OCC=C)(C)[H])C)(O1)[H])(OC(\C=C/C=C\C=C\[C@]1(O[C@@]3(C[C@]1(O[C@]([C@@]3(C)[H])(\C=C\C2)[H])[H])[H])[H])=O)[H])(C)[H])[H] |
| SPLASH | splash10-000i-0090100020-57b41e85e0d3a646ecf1 |
| Source of Spectrum | U-1993-300-10 |
| Wiley ID | 764912 |