| SpectraBase Compound ID | FhbcE0Vywuc |
|---|---|
| InChI | InChI=1S/C27H40O5/c1-16-8-9-22-26(5,13-10-21-25(3,4)11-7-12-27(21,22)6)19(16)15-20(31-17(2)28)18-14-23(29)32-24(18)30/h14,19-22,24,30H,1,7-13,15H2,2-6H3/t19-,20-,21+,22+,24?,26+,27+/m1/s1 |
| InChIKey | RLXAQGRYZUDGQC-KUMRYVNISA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C27H40O5 |
| Exact Mass | 444.287574 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 259bt23vHM |
|---|---|
| Name | (16R)-Acetoxy-(25R/S)-hydroxy-cheilanth-13(24),17-diien-19,25-olide |
| Alternate Name(s) | Acetic acid [(1R)-2-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] ester [(1R)-2-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] acetate [(1R)-2-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] acetate [(1R)-2-[(1R,4aR,4bS,8aS,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O5 |
| InChI | InChI=1S/C27H40O5/c1-16-8-9-22-26(5,13-10-21-25(3,4)11-7-12-27(21,22)6)19(16)15-20(31-17(2)28)18-14-23(29)32-24(18)30/h14,19-22,24,30H,1,7-13,15H2,2-6H3/t19-,20-,21+,22+,24?,26+,27+/m1/s1 |
| InChIKey | RLXAQGRYZUDGQC-KUMRYVNISA-N |
| Molecular Weight | 444.612 g/mol |
| SMILES | OC1C([C@@](C[C@]2([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CCC2=C)C)[H])(OC(=O)C)[H])=CC(=O)O1 |
| SPLASH | splash10-0gb9-7901100000-57de88e5f2db30c62922 |
| Source of Spectrum | F-70-9485-23 |
| Wiley ID | 1597887 |