| SpectraBase Compound ID | Hp5O0yuYefs |
|---|---|
| InChI | InChI=1S/C27H44O4/c1-17(13-15-31-19(3)28)8-10-20-18(2)9-11-22-26(20,6)16-21(29)24-25(4,5)14-12-23(30)27(22,24)7/h13,20-24,29-30H,2,8-12,14-16H2,1,3-7H3/b17-13-/t20-,21+,22?,23-,24?,26+,27+/m1/s1 |
| InChIKey | BCDDFICMWSJCHU-BJFKQMHTSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C27H44O4 |
| Exact Mass | 432.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuyQlBjuiU5 |
|---|---|
| Name | (17Z)-19-Acetoxycheilantha-13(24),17-dien-1.beta.,6.alpha.-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.323959893 u |
| Formula | C27H44O4 |
| InChI | InChI=1S/C27H44O4/c1-17(13-15-31-19(3)28)8-10-20-18(2)9-11-22-26(20,6)16-21(29)24-25(4,5)14-12-23(30)27(22,24)7/h13,20-24,29-30H,2,8-12,14-16H2,1,3-7H3/b17-13-/t20-,21+,22?,23-,24?,26+,27+/m1/s1 |
| InChIKey | BCDDFICMWSJCHU-BJFKQMHTSA-N |
| Molecular Weight | 432.645 g/mol |
| SMILES | [C@]12(C([C@]3([C@@](CCC(C3[C@](C2)(O)[H])(C)C)(O)[H])C)CCC([C@]1(CC\C(=C/COC(=O)C)C)[H])=C)C |