| SpectraBase Compound ID | GbbLTjs8ZEB |
|---|---|
| InChI | InChI=1S/C31H52O/c1-8-22(9-2)29(4,5)17-14-21(3)26-12-13-27-25-11-10-23-20-24(32)15-18-30(23,6)28(25)16-19-31(26,27)7/h8,10,21,24-28,32H,9,11-20H2,1-7H3/b22-8+/t21-,24?,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | FCNPAHAMCOHEQW-PBSQCXFRSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5N8PDg2SAkW |
|---|---|
| Name | Xestospongesterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-8-22(9-2)29(4,5)17-14-21(3)26-12-13-27-25-11-10-23-20-24(32)15-18-30(23,6)28(25)16-19-31(26,27)7/h8,10,21,24-28,32H,9,11-20H2,1-7H3/b22-8+/t21-,24?,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | FCNPAHAMCOHEQW-PBSQCXFRSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(\C(=C\C)CC)(C)C)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-03di-3911100000-35492eeb7de2d453edbb |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 161099 |