| SpectraBase Compound ID | 5WbU2VokGbL |
|---|---|
| InChI | InChI=1S/C20H32O4/c1-12(10-21)13-4-6-15-14(18(13)24)5-7-16-19(15,2)9-8-17(23)20(16,3)11-22/h5,13,15-18,21-24H,1,4,6-11H2,2-3H3/t13-,15+,16-,17+,18+,19-,20+/m0/s1 |
| InChIKey | OCSPOCDQHVVGDZ-UFANPLCHSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C20H32O4 |
| Exact Mass | 336.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | qWwJVj8ZJw |
|---|---|
| Name | Rubescensin I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O4 |
| InChI | InChI=1S/C20H32O4/c1-12(10-21)13-4-6-15-14(18(13)24)5-7-16-19(15,2)9-8-17(23)20(16,3)11-22/h5,13,15-18,21-24H,1,4,6-11H2,2-3H3/t13-,15+,16-,17+,18+,19-,20+/m0/s1 |
| InChIKey | OCSPOCDQHVVGDZ-UFANPLCHSA-N |
| Molecular Weight | 336.472 g/mol |
| SMILES | O[C@]1(C=2[C@]([C@@]3(CC[C@]([C@@]([C@]3(CC2)[H])(CO)C)(O)[H])C)(CC[C@]1(C(=C)CO)[H])[H])[H] |
| SPLASH | splash10-014i-0639000000-444d4414e425380b9c27 |
| Source of Spectrum | H-87-1014-1 |
| Synonyms | (ent)-Abieta-7(15),17-diene-3,14,16,18-tetraol (1R,2S,4aS,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol (1R,2S,4aS,4bS,7R,8S,8aS)-8-(hydroxymethyl)-2-[1-(hydroxymethyl)vinyl]-4b,8-dimethyl-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol (1R,2S,4aS,4bS,7R,8S,8aS)-8-(hydroxymethyl)-4b,8-dimethyl-2-(3-oxidanylprop-1-en-2-yl)-1,2,3,4,4a,5,6,7,8a,9-decahydrophenanthrene-1,7-diol |
| Wiley ID | 1563766 |