| SpectraBase Compound ID | IOSdjIsL8FZ |
|---|---|
| InChI | InChI=1S/C27H46O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-8,18-25,28H,6,9-17H2,1-5H3/b8-7+/t18-,19+,20?,21+,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MQDWBAYFXRRHRX-LTSSAQOFSA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C27H46O |
| Exact Mass | 386.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xH5TmbjSpL |
|---|---|
| Name | 27-Norergost-22-en-3-ol, (3.alpha.,5.alpha.,22E,24S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.354866100 u |
| Formula | C27H46O |
| InChI | InChI=1S/C27H46O/c1-6-18(2)7-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7-8,18-25,28H,6,9-17H2,1-5H3/b8-7+/t18-,19+,20?,21+,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | MQDWBAYFXRRHRX-LTSSAQOFSA-N |
| Molecular Weight | 386.664 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\[C@](CC)(C)[H])(C)[H])[H])[H])C |