| SpectraBase Compound ID | H2f5LZ89lJk |
|---|---|
| InChI | InChI=1S/C33H54O4/c1-21(12-11-16-29(3,4)35)23-15-17-33(9)28-26(36-10)20-25-24(31(28,7)18-19-32(23,33)8)13-14-27(30(25,5)6)37-22(2)34/h11,16,20-21,23-24,26-28,35H,12-15,17-19H2,1-10H3/b16-11+/t21-,23-,24?,26+,27+,28?,31+,32-,33+/m1/s1 |
| InChIKey | HTNIITNSZZBRJS-GRRPTNAKSA-N |
| Mol Weight | 514.8 g/mol |
| Molecular Formula | C33H54O4 |
| Exact Mass | 514.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ioSUpJXjeN |
|---|---|
| Name | 3.beta.-Acetoxy-7.beta.-methoxy-Cucurbita-5,23(E)-dien-25-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O4 |
| InChI | InChI=1S/C33H54O4/c1-21(12-11-16-29(3,4)35)23-15-17-33(9)28-26(36-10)20-25-24(31(28,7)18-19-32(23,33)8)13-14-27(30(25,5)6)37-22(2)34/h11,16,20-21,23-24,26-28,35H,12-15,17-19H2,1-10H3/b16-11+/t21-,23-,24?,26+,27+,28?,31+,32-,33+/m1/s1 |
| InChIKey | HTNIITNSZZBRJS-GRRPTNAKSA-N |
| Molecular Weight | 514.791 g/mol |
| SMILES | OC(\C=C\C[C@]([C@@]1([C@@]2([C@](C3[C@@](C4CC[C@@](C(C4=C[C@@]3(OC)[H])(C)C)(OC(=O)C)[H])(C)CC2)(CC1)C)C)[H])(C)[H])(C)C |
| SPLASH | splash10-0072-5903200000-78ee8fcbb6bddad741c2 |
| Source of Spectrum | G4-71-1329-2 |
| Wiley ID | 1695019 |