| SpectraBase Compound ID | 1Wm1AKqTHAG |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-18(12-16-31-19(2)28)9-10-22-26(6)17-20(29)23-24(3,4)13-8-14-25(23,5)21(26)11-15-27(22,7)30/h12,20-23,29-30H,8-11,13-17H2,1-7H3/b18-12-/t20-,21?,22-,23?,25+,26+,27-/m0/s1 |
| InChIKey | VRVBJXNLXXPQIY-SFOHYNQFSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DkPTfVaUIod |
|---|---|
| Name | Cheilanthene-6,13,19-triol 19-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.339609957 u |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-18(12-16-31-19(2)28)9-10-22-26(6)17-20(29)23-24(3,4)13-8-14-25(23,5)21(26)11-15-27(22,7)30/h12,20-23,29-30H,8-11,13-17H2,1-7H3/b18-12-/t20-,21?,22-,23?,25+,26+,27-/m0/s1 |
| InChIKey | VRVBJXNLXXPQIY-SFOHYNQFSA-N |
| Molecular Weight | 434.661 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3[C@](C2)(O)[H])(C)C)C)CC[C@@]([C@]1(CC\C(=C/COC(=O)C)C)[H])(O)C)C |