| SpectraBase Compound ID | 99mxIkPRwiS |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IZEUIYYDWBKERE-ZRODXFKISA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1TlFa8C0jP9 |
|---|---|
| Name | Stigmasteryl acetate |
| Appearance | Colorless crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| GC Oven Program | Oven temp 250oC |
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IZEUIYYDWBKERE-ZRODXFKISA-N |
| Instrument Name | Hitachi M-80B |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204141 |
| Molecular Weight | 454.739 g/mol |
| SMILES | C1C[C@]2(C(C[C@]1(OC(C)=O)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(\C=C\[C@](C(C)C)(CC)[H])[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-0a4i-9034000000-9024cde2454d9a6670a2 |
| Source of Spectrum | G4-66-336-3a |
| Wiley ID | 1881268 |