| SpectraBase Compound ID | 5AaO3WQvrnI |
|---|---|
| InChI | InChI=1S/C30H50O/c1-8-22(21(5)19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-20,22,24-28,31H,5,8,10-18H2,1-4,6-7H3/t20-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GZYZMUDEXLFIHC-UKJHRJSGSA-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 | CsqZjPU9s3u |
|---|---|
| Name | 23-Ethylergosta-5,24(28)-dien-3.beta.-ol B |
| 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(21(5)19(2)3)17-20(4)26-11-12-27-25-10-9-23-18-24(31)13-15-29(23,6)28(25)14-16-30(26,27)7/h9,19-20,22,24-28,31H,5,8,10-18H2,1-4,6-7H3/t20-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | GZYZMUDEXLFIHC-UKJHRJSGSA-N |
| Molecular Weight | 426.729 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@@](CC(C(=C)C(C)C)CC)(C)[H])[H])[H])C |