| SpectraBase Compound ID | 2Ue2ybH5Ipo |
|---|---|
| InChI | InChI=1S/C29H48O/c1-8-27(4,5)20(3)17-19(2)24-11-12-25-23-10-9-21-18-22(30)13-15-28(21,6)26(23)14-16-29(24,25)7/h9,19,22-26,30H,3,8,10-18H2,1-2,4-7H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | XTKDIMZRBCMMJJ-HSIBUNQISA-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 | ARqBZCDrer0 |
|---|---|
| Name | 27-Norergost-5-en-3-ol, 24-methyl-23-methylene-, (3.beta.)- |
| 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/c1-8-27(4,5)20(3)17-19(2)24-11-12-25-23-10-9-21-18-22(30)13-15-28(21,6)26(23)14-16-29(24,25)7/h9,19,22-26,30H,3,8,10-18H2,1-2,4-7H3/t19-,22+,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | XTKDIMZRBCMMJJ-HSIBUNQISA-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@@](CC(C(CC)(C)C)=C)(C)[H])[H])[H])C |