| SpectraBase Compound ID | IBvwoNO17an |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16-,17+,19+,20-/m1/s1 |
| InChIKey | WFIRRHJNPNGJBS-DLNPTOARSA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Xr3V1P6ULD |
|---|---|
| Name | 4.alpha.-apl:ykurodin B |
| Alternate Name(s) | 1-(1',5'-Dimethyl-4'-hexen-1'-yl)-7-methyl-4.alpha.-hydroxy-(perhydro)-indan-2,9-.delta.-lactone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16-,17+,19+,20-/m1/s1 |
| InChIKey | WFIRRHJNPNGJBS-DLNPTOARSA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | O[C@@]1(CC[C@]2([C@@]3([C@@](OC(C[C@@]13[H])=O)(C[C@@]2([C@@](CCC=C(C)C)(C)[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-00kf-9304000000-3627ad8f3971be011b72 |
| Source of Spectrum | X2-55-992-4 |
| Wiley ID | 1604564 |