| SpectraBase Compound ID | RCvg3wZ1Rn |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8K03VXeLadv |
|---|---|
| Name | Stigmasterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/acs.jnatprod.5b00858 |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(\C=C\[C@@](CC)(C(C)C)[H])[H])[H])[H])C)[H])[H])C)[H] |
| SPLASH | splash10-05nf-9610000000-6d21442acb1710317d01 |
| Source of Spectrum | G4-79-SM33-3 |
| Wiley ID | 1849256 |