| SpectraBase Compound ID | F1acFMXaXP6 |
|---|---|
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-28,31H,8,11-18H2,1-7H3/b10-9+/t20-,22+,23+,24-,26+,27+,28+,29-,30+/m1/s1 |
| InChIKey | XXQRVYNIXZTTFI-KPFXDHEXSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8drcTDMGEcs |
|---|---|
| Name | Stigmasta-4,22-dien-3-ol, 4-methyl-, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h9-10,19-20,22-24,26-28,31H,8,11-18H2,1-7H3/b10-9+/t20-,22+,23+,24-,26+,27+,28+,29-,30+/m1/s1 |
| InChIKey | XXQRVYNIXZTTFI-KPFXDHEXSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | [C@]1(CC[C@]2(C(=C1C)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)(O)[H] |