| SpectraBase Compound ID | 5Czq7RCKXZE |
|---|---|
| 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,7,9,11-18H2,1-6H3/b20-8+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | HZYXFRGVBOPPNZ-PTEJZTFHSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmAQwtCK1N8 |
|---|---|
| Name | (24R)-Stigmasta-5,20(22)(E)-dien-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| 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,7,9,11-18H2,1-6H3/b20-8+/t21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | HZYXFRGVBOPPNZ-PTEJZTFHSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1(\C(=C\C[C@](C(C)C)(CC)[H])C)[H])[H])C |