| SpectraBase Compound ID | Ls2CL7bs2A5 |
|---|---|
| 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/h13,19-23,25,30H,7-12,14-18H2,1-6H3/t20-,21-,22+,23+,25-,28+,29-/m1/s1 |
| InChIKey | PHLJEYOBUHONQR-CICAKHEDSA-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 | 4ZhSGWQRQkc |
|---|---|
| Name | Stigmasta-8,14-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/h13,19-23,25,30H,7-12,14-18H2,1-6H3/t20-,21-,22+,23+,25-,28+,29-/m1/s1 |
| InChIKey | PHLJEYOBUHONQR-CICAKHEDSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | C=12C3=C([C@]4(CC[C@@](C[C@@]4(CC3)[H])(O)[H])C)CC[C@@]2([C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC1)[H])C |