| SpectraBase Compound ID | 7UQ1rhlRWGs |
|---|---|
| InChI | InChI=1S/C30H38O6/c1-16-17-8-9-20-27(3,18(17)12-19(31)24(16)34)10-11-29(5)21-13-28(4,25(35)36-7)22(32)14-26(21,2)15-23(33)30(20,29)6/h8-9,12,21,23,33-34H,10-11,13-15H2,1-7H3/t21?,23-,26-,27+,28?,29-,30+/m1/s1 |
| InChIKey | FATJTRUVRFSESL-DHTQONDPSA-N |
| Mol Weight | 494.6 g/mol |
| Molecular Formula | C30H38O6 |
| Exact Mass | 494.266839 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3SeFmgUVDj2 |
|---|---|
| Name | 15.alpha.-Hydroxy-21-keto-Pristimerine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H38O6 |
| InChI | InChI=1S/C30H38O6/c1-16-17-8-9-20-27(3,18(17)12-19(31)24(16)34)10-11-29(5)21-13-28(4,25(35)36-7)22(32)14-26(21,2)15-23(33)30(20,29)6/h8-9,12,21,23,33-34H,10-11,13-15H2,1-7H3/t21?,23-,26-,27+,28?,29-,30+/m1/s1 |
| InChIKey | FATJTRUVRFSESL-DHTQONDPSA-N |
| Molecular Weight | 494.628 g/mol |
| SMILES | O[C@]1([C@@]2(C=3[C@](C4=CC(C(=C(C4=CC3)C)O)=O)(CC[C@@]2(C2[C@@](C1)(CC(C(C2)(C(=O)OC)C)=O)C)C)C)C)[H] |
| SPLASH | splash10-0006-9010300000-8500002785a8d76770dc |
| Source of Spectrum | G4-62-751-1 |
| Wiley ID | 1607904 |