| SpectraBase Compound ID | 6FryYkPT1rY |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-15(2)19-7-9-22-26(5,21(19)8-10-23(29)30)12-11-17(4)27(22,6)25(32)20-14-18(28)13-16(3)24(20)31/h13-14,17,21-22,28,31H,7-12H2,1-6H3,(H,29,30)/t17-,21+,22-,26+,27+/m1/s1 |
| InChIKey | GKCQTPZPJOJIQY-XPIYKCIZSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FPqhonP1RZc |
|---|---|
| Name | 5'a-Desmethyl-1-keto-15.alpha.-atomaric Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-15(2)19-7-9-22-26(5,21(19)8-10-23(29)30)12-11-17(4)27(22,6)25(32)20-14-18(28)13-16(3)24(20)31/h13-14,17,21-22,28,31H,7-12H2,1-6H3,(H,29,30)/t17-,21+,22-,26+,27+/m1/s1 |
| InChIKey | GKCQTPZPJOJIQY-XPIYKCIZSA-N |
| Molecular Weight | 442.596 g/mol |
| SMILES | Oc1cc(c(c(c1)C)O)C([C@@]1([C@]2([C@]([C@](C(CC2)=C(C)C)(CCC(=O)O)[H])(CC[C@]1(C)[H])C)[H])C)=O |
| SPLASH | splash10-0udl-2920100000-4470b0cc655fce107523 |
| Source of Spectrum | F-59-2062-7 |
| Wiley ID | 1677393 |