| SpectraBase Compound ID | 49InKmWK3Vf |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-13(24)25-18-6-7-19(2)16(21(18,4)12-23)5-8-22-10-15-14(9-17(19)22)20(15,3)11-22/h14-18,23H,5-12H2,1-4H3/t14-,15+,16+,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | IIFAULFSLBRVHS-HNXJODKKSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C22H34O3 |
| Exact Mass | 346.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AQn1cpY5ich |
|---|---|
| Name | ent-3.beta.-Acetoxy-18-hydroxytrachylobane |
| Appearance | White solid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-13(24)25-18-6-7-19(2)16(21(18,4)12-23)5-8-22-10-15-14(9-17(19)22)20(15,3)11-22/h14-18,23H,5-12H2,1-4H3/t14-,15+,16+,17+,18+,19-,20-,21+,22-/m1/s1 |
| InChIKey | IIFAULFSLBRVHS-HNXJODKKSA-N |
| Instrument Name | Hewlett-Packard G1800A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900806j |
| Molecular Weight | 346.511 g/mol |
| Optical Rotation | [a]D20 = -11.3 (c = 0.28, CHCl3) |
| Reported Formula | C22H34O3 |
| SMILES | OC[C@]1([C@@]2([C@@](CC[C@@]1(OC(C)=O)[H])([C@]1([C@@]3(CC2)C[C@@]2([C@](C1)([C@@]2(C3)[H])[H])C)[H])C)[H])C |
| SPLASH | splash10-0a4i-6920000000-eab11e0274e655cc7c79 |
| Source of Spectrum | G4-73-662-4 |
| Wiley ID | 1872289 |