| SpectraBase Compound ID | ApktX2BsU09 |
|---|---|
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-15-30(7)27-25(34-8)18-24-23(12-13-26(33)28(24,4)5)31(27,19-32)17-16-29(22,30)6/h9-10,18-19,21-23,25-27,33H,1,11-17H2,2-8H3/b10-9+/t21-,22-,23-,25?,26+,27+,29-,30+,31-/m1/s1 |
| InChIKey | WZZAXQGYJDXEDP-OWPJMQMRSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C31H48O3 |
| Exact Mass | 468.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AWtJHSOvMaz |
|---|---|
| Name | 3.beta.-Hydroxy-7.beta.-methoxycucurbita-5,23,25-trien-19-al |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O3 |
| InChI | InChI=1S/C31H48O3/c1-20(2)10-9-11-21(3)22-14-15-30(7)27-25(34-8)18-24-23(12-13-26(33)28(24,4)5)31(27,19-32)17-16-29(22,30)6/h9-10,18-19,21-23,25-27,33H,1,11-17H2,2-8H3/b10-9+/t21-,22-,23-,25?,26+,27+,29-,30+,31-/m1/s1 |
| InChIKey | WZZAXQGYJDXEDP-OWPJMQMRSA-N |
| Molecular Weight | 468.722 g/mol |
| SMILES | O[C@@]1(C(C2=CC([C@@]3([C@]([C@@]2(CC1)[H])(CC[C@]1([C@]3(CC[C@@]1([C@@](C\C=C\C(=C)C)(C)[H])[H])C)C)C=O)[H])OC)(C)C)[H] |
| SPLASH | splash10-0a4i-0925800000-07dbde7df6f2ea72cd22 |
| Source of Spectrum | X2-68-809-2 |
| Wiley ID | 1609559 |