| SpectraBase Compound ID | LHFtz4yZg5g |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-19(13-18-30-20(2)28)9-10-23-26(6)16-11-21-24(3,4)14-8-15-25(21,5)22(26)12-17-27(23,7)29/h13,21-23,29H,8-12,14-18H2,1-7H3/b19-13-/t21?,22?,23-,25-,26+,27-/m0/s1 |
| InChIKey | QFMCIFRAVQTPSC-GKTOBJKQSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DO1nefCgwSD |
|---|---|
| Name | Cheilanth-17-ene-13,19-diol 19-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-19(13-18-30-20(2)28)9-10-23-26(6)16-11-21-24(3,4)14-8-15-25(21,5)22(26)12-17-27(23,7)29/h13,21-23,29H,8-12,14-18H2,1-7H3/b19-13-/t21?,22?,23-,25-,26+,27-/m0/s1 |
| InChIKey | QFMCIFRAVQTPSC-GKTOBJKQSA-N |
| Molecular Weight | 418.662 g/mol |
| SMILES | O[C@@]1([C@]([C@]2(C([C@]3(CCCC(C3CC2)(C)C)C)CC1)C)(CC\C(=C/COC(=O)C)C)[H])C |
| SPLASH | splash10-0btd-0193000000-ff7463d1bf5a9c197b11 |
| Source of Spectrum | E1-38-346-12 |
| Wiley ID | 1518122 |