| SpectraBase Compound ID | DdhNSvNFhAq |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-29-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3 |
| InChIKey | FZHDDSPIVLELPR-UHFFFAOYSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2EPiwVfRyo |
|---|---|
| Name | 7-oxa-B-Homo-5A-cholestan-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.349780719 u |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-29-25(28)24-11-6-7-15-26(24,4)23(20)14-16-27(21,22)5/h18-24H,6-17H2,1-5H3 |
| InChIKey | FZHDDSPIVLELPR-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | C12CCC3(C(C2COC(C2C1(CCCC2)C)=O)CCC3C(C)CCCC(C)C)C |