| SpectraBase Compound ID | 2LcafFkHLLS |
|---|---|
| InChI | InChI=1S/C22H34O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-24H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,20-,21+,22-/m0/s1 |
| InChIKey | SCHUFNFKKZAGMU-IQASZZCNSA-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 | FD6PTHpf9gl |
|---|---|
| Name | Penostatin D |
| Alternate Name(s) | (3R,4aS,5S,8R,9aR,9bR)-2-methyl-3-[(1E)-1-nonenyl]-3,4a,5,7,8,9,9a,9b-octahydrocyclopenta[f]chromene-5,8-diol (3R,4aS,5S,8R,9aR,9bR)-2-methyl-3-[(E)-non-1-enyl]-3,4a,5,7,8,9,9a,9b-octahydrocyclopenta[f][1]benzopyran-5,8-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O3 |
| InChI | InChI=1S/C22H34O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-24H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,20-,21+,22-/m0/s1 |
| InChIKey | SCHUFNFKKZAGMU-IQASZZCNSA-N |
| Molecular Weight | 346.511 g/mol |
| SMILES | O[C@]1(C=C2[C@](C[C@](C2)(O)[H])([C@@]2([C@@]1(O[C@@](C(=C2)C)(\C=C\CCCCCCC)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0002-0749000000-b80f3700f69c17c532dc |
| Source of Spectrum | F-55-14365-7 |
| Wiley ID | 840013 |