| SpectraBase Compound ID | 6wlGkUyy3w0 |
|---|---|
| InChI | InChI=1S/C24H38O5/c1-15-8-9-20-24(7,29-20)14-19(27-16(2)25)21-18(22(4,5)28-17(3)26)11-13-23(21,6)12-10-15/h10,12,15,18-21H,8-9,11,13-14H2,1-7H3/b12-10+/t15-,18-,19+,20?,21?,23+,24+/m0/s1 |
| InChIKey | PUADFXXMHGQYJN-FYDPXTHGSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C24H38O5 |
| Exact Mass | 406.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwlEigTzCsz |
|---|---|
| Name | Diacetyl-dollabelane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.271924319 u |
| Formula | C24H38O5 |
| InChI | InChI=1S/C24H38O5/c1-15-8-9-20-24(7,29-20)14-19(27-16(2)25)21-18(22(4,5)28-17(3)26)11-13-23(21,6)12-10-15/h10,12,15,18-21H,8-9,11,13-14H2,1-7H3/b12-10+/t15-,18-,19+,20?,21?,23+,24+/m0/s1 |
| InChIKey | PUADFXXMHGQYJN-FYDPXTHGSA-N |
| Molecular Weight | 406.563 g/mol |
| SMILES | [C@]12(OC2CC[C@@](\C=C\[C@]2(C([C@@](C1)(OC(=O)C)[H])[C@@](C(OC(=O)C)(C)C)(CC2)[H])C)(C)[H])C |