| SpectraBase Compound ID | 9OGm9UW2Eza |
|---|---|
| InChI | InChI=1S/C19H34O3/c1-14(20)22-13-6-8-16-18(4)11-7-10-17(2,3)15(18)9-12-19(16,5)21/h15-16,21H,6-13H2,1-5H3/t15-,16+,18-,19+/m0/s1 |
| InChIKey | NVEIDOGNXQGSRG-OGWHTMIXSA-N |
| Mol Weight | 310.5 g/mol |
| Molecular Formula | C19H34O3 |
| Exact Mass | 310.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdvOj7vbR5U |
|---|---|
| Name | 8Alpha-hydroxy-14,15,16-trinorlabd-13-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.250794952 u |
| Formula | C19H34O3 |
| InChI | InChI=1S/C19H34O3/c1-14(20)22-13-6-8-16-18(4)11-7-10-17(2,3)15(18)9-12-19(16,5)21/h15-16,21H,6-13H2,1-5H3/t15-,16+,18-,19+/m0/s1 |
| InChIKey | NVEIDOGNXQGSRG-OGWHTMIXSA-N |
| SMILES | C1C[C@]2([C@](C(C1)(C)C)(CC[C@]([C@@]2(CCCOC(C)=O)[H])(O)C)[H])C |