| SpectraBase Compound ID | FpyCNBxF1JI |
|---|---|
| InChI | InChI=1S/C26H38O7/c1-8-9-18(28)33-23-14(3)12-26(31)20(23)22(32-16(5)27)13(2)10-11-17-19(25(17,6)7)21(29)15(4)24(26)30/h14,17,19-20,22-23,29,31H,2,8-12H2,1,3-7H3/b21-15-/t14-,17-,19-,20-,22-,23-,26+/m0/s1 |
| InChIKey | AHNFUCHNSXNMSD-IGONMUMCSA-N |
| Mol Weight | 462.6 g/mol |
| Molecular Formula | C26H38O7 |
| Exact Mass | 462.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5LVU7mWRwul |
|---|---|
| Name | 5-O-Acetyl-3-O-butanoyl-12-hydroxy-Lathyrol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H38O7 |
| InChI | InChI=1S/C26H38O7/c1-8-9-18(28)33-23-14(3)12-26(31)20(23)22(32-16(5)27)13(2)10-11-17-19(25(17,6)7)21(29)15(4)24(26)30/h14,17,19-20,22-23,29,31H,2,8-12H2,1,3-7H3/b21-15-/t14-,17-,19-,20-,22-,23-,26+/m0/s1 |
| InChIKey | AHNFUCHNSXNMSD-IGONMUMCSA-N |
| Molecular Weight | 462.583 g/mol |
| SMILES | O\C1=C/(C([C@@]2([C@@]([C@](C(CC[C@@]3(C([C@]13[H])(C)C)[H])=C)(OC(=O)C)[H])([C@@](OC(=O)CCC)([C@](C2)(C)[H])[H])[H])O)=O)C |
| SPLASH | splash10-0005-9072100000-038ef55c71b6fcc0c9a3 |
| Source of Spectrum | G4-62-177-1 |
| Wiley ID | 1607674 |