| SpectraBase Compound ID | KibZ2I7gJna |
|---|---|
| InChI | InChI=1S/C29H46O/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/h7,9-10,19-20,23-27,30H,1,8,11-18H2,2-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VMPRAABPKSNJFQ-JACNMLTHSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2IGbAhVGoG |
|---|---|
| Name | Stigmasta-5,23,28-trien-3-ol, (3.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.354866100 u |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/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/h7,9-10,19-20,23-27,30H,1,8,11-18H2,2-6H3/b21-9+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | VMPRAABPKSNJFQ-JACNMLTHSA-N |
| Molecular Weight | 410.686 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(C)C)(C)[H])[H])[H])C |