| SpectraBase Compound ID | EeadKUAz4oK |
|---|---|
| InChI | InChI=1S/C19H28O3/c1-12-14-5-8-18-9-13(19(22,10-18)11-20)3-4-16(18)17(14,2)7-6-15(12)21/h13,16,20,22H,3-11H2,1-2H3/t13-,16+,17+,18+,19+/m1/s1 |
| InChIKey | CBPWJAQCXCEEKA-RUZYHRDJSA-N |
| Mol Weight | 304.43 g/mol |
| Molecular Formula | C19H28O3 |
| Exact Mass | 304.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27GG8OMXqb8 |
|---|---|
| Name | (16R)-ent-16,17-Dihydroxy-19-nor-kaur-4-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.203844759 u |
| Formula | C19H28O3 |
| InChI | InChI=1S/C19H28O3/c1-12-14-5-8-18-9-13(19(22,10-18)11-20)3-4-16(18)17(14,2)7-6-15(12)21/h13,16,20,22H,3-11H2,1-2H3/t13-,16+,17+,18+,19+/m1/s1 |
| InChIKey | CBPWJAQCXCEEKA-RUZYHRDJSA-N |
| Molecular Weight | 304.430 g/mol |
| SMILES | C=12[C@@]([C@@]3(CC[C@@]4(C[C@@]3(CC2)C[C@]4(O)CO)[H])[H])(CCC(C1C)=O)C |