| SpectraBase Compound ID | CiX56XhuDXa |
|---|---|
| InChI | InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16-,17+,20+/m1/s1 |
| InChIKey | LCAZOMIGFDQMNC-PYQAKABTSA-N |
| Mol Weight | 346.42 g/mol |
| Molecular Formula | C20H26O5 |
| Exact Mass | 346.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LIU9lI8Zm4M |
|---|---|
| Name | Epirosmanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O5 |
| InChI | InChI=1S/C20H26O5/c1-9(2)10-8-11-12(15(23)13(10)21)20-7-5-6-19(3,4)17(20)16(14(11)22)25-18(20)24/h8-9,14,16-17,21-23H,5-7H2,1-4H3/t14-,16-,17+,20+/m1/s1 |
| InChIKey | LCAZOMIGFDQMNC-PYQAKABTSA-N |
| Instrument Name | VG Micromass ZAB-2F |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np010565o |
| Molecular Weight | 346.423 g/mol |
| Reported Formula | C20H26O5 |
| SMILES | Oc1c(cc2[C@]([C@@]3([C@]4(C(CCC[C@@]4(c2c1O)C(O3)=O)(C)C)[H])[H])(O)[H])C(C)C |
| SPLASH | splash10-015a-2291000000-8394e7bd9fd14e9bf285 |
| Source of Spectrum | G4-65-989-8 |
| Wiley ID | 1883759 |