| SpectraBase Compound ID | 9nDkIWGVrnD |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19-22,25-29H,9-10,12-18H2,1-8H3/t20-,21+,22-,25+,26-,27?,28-,29-,30+,31-/m0/s1 |
| InChIKey | MPSMORKTRDBZSB-UIGRZGJCSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4shP9Sn57Nz |
|---|---|
| Name | 3-Acetoxy-4-methylergost-7-ene |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19-22,25-29H,9-10,12-18H2,1-8H3/t20-,21+,22-,25+,26-,27?,28-,29-,30+,31-/m0/s1 |
| InChIKey | MPSMORKTRDBZSB-UIGRZGJCSA-N |
| Instrument Name | GC-17A/GCMS5050A (SHIMADZU) |
| Ionization Type | EI |
| Molecular Weight | 456.755 g/mol |
| SMILES | C1C[C@]2([C@]([C@@]([C@]1(OC(C)=O)[H])(C)[H])(CC=C1[C@@]2(CC[C@]2(C1CC[C@@]2([C@](C)(CC[C@@](C(C)C)(C)[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-0aos-6920000000-ff39331b9c5b7e54de4b |
| Source of Spectrum | EP1731527B1 |
| Wiley ID | 1876979 |