| SpectraBase Compound ID | ejkSRe2XEU |
|---|---|
| InChI | InChI=1S/C27H40O6/c1-16(29)32-20(18-13-23(30)33-24(18)31)14-19-17(15-28)7-8-22-26(19,4)12-9-21-25(2,3)10-6-11-27(21,22)5/h13,15,17,19-22,24,31H,6-12,14H2,1-5H3/t17-,19-,20-,21+,22+,24?,26+,27+/m1/s1 |
| InChIKey | QPTVAYUFYIWGFW-WVWHCSABSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H40O6 |
| Exact Mass | 460.282489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9AwGMg2zVcm |
|---|---|
| Name | (16R)-Acetoxy-(25R,S)-hydroxy-13-formyl-cheilanth-17-en-19,25-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O6 |
| InChI | InChI=1S/C27H40O6/c1-16(29)32-20(18-13-23(30)33-24(18)31)14-19-17(15-28)7-8-22-26(19,4)12-9-21-25(2,3)10-6-11-27(21,22)5/h13,15,17,19-22,24,31H,6-12,14H2,1-5H3/t17-,19-,20-,21+,22+,24?,26+,27+/m1/s1 |
| InChIKey | QPTVAYUFYIWGFW-WVWHCSABSA-N |
| Molecular Weight | 460.611 g/mol |
| SMILES | OC1C([C@@](C[C@]2([C@]3([C@]([C@]4(CCCC([C@@]4(CC3)[H])(C)C)C)([H])CC[C@@]2(C=O)[H])C)[H])(OC(=O)C)[H])=CC(=O)O1 |
| SPLASH | splash10-000i-0290100000-e74a8302c4d3641d9c8f |
| Source of Spectrum | F-70-9485-4 |
| Synonyms | Acetic acid [(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] ester [(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl] acetate [(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-methanoyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl] ethanoate |
| Wiley ID | 1597884 |