| SpectraBase Compound ID | PGdB4umv9b |
|---|---|
| InChI | InChI=1S/C30H38O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,23,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,23+,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | LZUGLYPIDYYQJP-KNKAHPOUSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C30H38O8 |
| Exact Mass | 526.256668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4c3WLa3Icv |
|---|---|
| Name | Applanoxidic acid C |
| Appearance | White flakes |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H38O8 |
| InChI | InChI=1S/C30H38O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,23,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,23+,26-,27+,28-,29+,30-/m0/s1 |
| InChIKey | LZUGLYPIDYYQJP-KNKAHPOUSA-N |
| Instrument Name | Agilent 6890N-5973 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0501886 |
| Molecular Weight | 526.626 g/mol |
| Reported Formula | C30H39O8 |
| SMILES | OC(C(CC(C[C@@](C1=CC([C@@]2([C@@]1(C(C=C1[C@]22[C@@](C[C@@]3([C@@]1(CCC(C3(C)C)=O)C)[H])(O2)[H])=O)C)C)=O)(C)O)=O)C)=O |
| SPLASH | splash10-002f-9100000000-4b2a1604d0190f51a62e |
| Source of Spectrum | G4-68-SM43-Applanoxidic acid C |
| Thin-Layer Chromatography | Rf = 0.31 |
| Wiley ID | 1884081 |