| SpectraBase Compound ID | ArwgLslOHoJ |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 |
| InChIKey | PJBQQIKTIGUTST-PDURBABISA-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 | 3FaI1edGtn1 |
|---|---|
| Name | Toonaciliatin M |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 |
| InChIKey | PJBQQIKTIGUTST-PDURBABISA-N |
| Molecular Weight | 320.473 g/mol |
| SMILES | OC([C@@]1([C@]2([C@@]([C@@]3([C@@](CC2)(C[C@](CC3)(C=C)C)O)[H])(CCC1)C)[H])C)=O |
| SPLASH | splash10-0a4i-2439000000-4951c8ae0c28ca9ff531 |
| Source of Spectrum | G4-72-689-6 |
| Synonyms | (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-8a-hydroxy-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid (1S,4aS,4bR,7S,8aR,10aR)-7-ethenyl-1,4a,7-trimethyl-8a-oxidanyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid |
| Wiley ID | 1702057 |