| SpectraBase Compound ID | 4twCv9D064p |
|---|---|
| InChI | InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19-,23-,24+,25-,26-,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | CUIHFVBXGFUGAP-NEZJTFQLSA-N |
| Mol Weight | 497.7 g/mol |
| Molecular Formula | C31H47NO4 |
| Exact Mass | 497.350509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B13Bmzoye9I |
|---|---|
| Name | (3.beta.,22.alpha.,25.alpha.)-28-Acetylspirosol-5-en-3-yl acetate |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47NO4 |
| InChI | InChI=1S/C31H47NO4/c1-18-9-14-31(32(17-18)20(3)33)19(2)28-27(36-31)16-26-24-8-7-22-15-23(35-21(4)34)10-12-29(22,5)25(24)11-13-30(26,28)6/h7,18-19,23-28H,8-17H2,1-6H3/t18-,19-,23-,24+,25-,26-,27-,28-,29-,30-,31-/m0/s1 |
| InChIKey | CUIHFVBXGFUGAP-NEZJTFQLSA-N |
| Instrument Name | Finnigan Mat 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.3998/ark.5550190.0005.203 |
| Molecular Weight | 497.720 g/mol |
| Reported Formula | C31H47NO4 |
| SMILES | C1C[C@]2(C(C[C@]1(OC(C)=O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@]1([C@@]2([C@@]([C@@]2(O1)CC[C@@](CN2C(=O)C)(C)[H])(C)[H])[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-001j-0100900000-31ba3d1d60053d5c5489 |
| Source of Spectrum | ARK-2004-43-25 |
| Wiley ID | 1875938 |