| SpectraBase Compound ID | IQKT2yM0bAV |
|---|---|
| InChI | InChI=1S/C20H30O7/c1-12-9-14-10-17(23)27-19(14)20(25-3)16(22)11-18(24)26-13(2)7-5-4-6-8-15(12)21/h4-6,8,12-14,16-17,19-20,22-23H,7,9-11H2,1-3H3/b5-4+,8-6+/t12-,13-,14-,16-,17?,19+,20+/m1/s1 |
| InChIKey | QITZADFBXRFLBC-SFALPBECSA-N |
| Mol Weight | 382.45 g/mol |
| Molecular Formula | C20H30O7 |
| Exact Mass | 382.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GG5FRXkwct4 |
|---|---|
| Name | Niddanolide hemiacetal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O7 |
| InChI | InChI=1S/C20H30O7/c1-12-9-14-10-17(23)27-19(14)20(25-3)16(22)11-18(24)26-13(2)7-5-4-6-8-15(12)21/h4-6,8,12-14,16-17,19-20,22-23H,7,9-11H2,1-3H3/b5-4+,8-6+/t12-,13-,14-,16-,17?,19+,20+/m1/s1 |
| InChIKey | QITZADFBXRFLBC-SFALPBECSA-N |
| Molecular Weight | 382.453 g/mol |
| SMILES | O[C@@]1(CC(O[C@@](C\C=C\C=C\C([C@@](C[C@]2([C@](OC(C2)O)([C@]1(OC)[H])[H])[H])(C)[H])=O)(C)[H])=O)[H] |
| SPLASH | splash10-0fk9-0900000000-9247837efc9fff486593 |
| Source of Spectrum | E1-39-72-5 |
| Wiley ID | 1518624 |