| SpectraBase Compound ID | BIFK2idkxG0 |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13?,15-,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | PSCMUJSYIGILPT-TZLACQLTSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FBIEt3aRat |
|---|---|
| Name | Rubescensin J |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13?,15-,16+,17-,18-,19+,20-/m1/s1 |
| InChIKey | PSCMUJSYIGILPT-TZLACQLTSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | OC[C@]1([C@@](CC[C@]2([C@]3(C(=CC[C@]12[H])[C@]1(C(CC3)C(CO1)=C)[H])[H])C)(O)[H])C |
| SPLASH | splash10-0002-0901000000-cf08aefac725a7a740fd |
| Source of Spectrum | H-87-1015-2 |
| Synonyms | 14,16-Epoxy-(ent)-abieta-7(15),17-diene-3,18-diol (3aR,5aS,6S,7R,9aS,9bS)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g]benzofuran-7-ol (3aR,5aS,6S,7R,9aS,9bS)-6-(hydroxymethyl)-6,9a-dimethyl-1-methylidene-3a,5,5a,7,8,9,9b,10,11,11a-decahydronaphtho[1,2-g][1]benzofuran-7-ol |
| Wiley ID | 1563765 |