| SpectraBase Compound ID | 9hGIv5Jxerj |
|---|---|
| InChI | InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12-,13?,14-,15+,16+,19?/m0/s1 |
| InChIKey | NPBDPFOGSVKPOK-FLLKZSJJSA-N |
| Mol Weight | 364.39 g/mol |
| Molecular Formula | C19H24O7 |
| Exact Mass | 364.152203 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BQ2CPQu1Soc |
|---|---|
| Name | 3.alpha.-Dihydro-4(15)-dehydro-grosshemin - .alpha.,.beta.-dihydroxy-isobutyrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H24O7 |
| InChI | InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12-,13?,14-,15+,16+,19?/m0/s1 |
| InChIKey | NPBDPFOGSVKPOK-FLLKZSJJSA-N |
| Molecular Weight | 364.394 g/mol |
| SMILES | OC(CO)(C(OC1[C@@]2([C@@]([C@@]3([C@](C(=C)C1)(C[C@@](C3=C)(O)[H])[H])[H])(OC(=O)C2=C)[H])[H])=O)C |
| SPLASH | splash10-004l-9220000000-e79bfd730e28aafba661 |
| Source of Spectrum | X2-53-578-5 |
| Wiley ID | 1603529 |