| SpectraBase Compound ID | FuAJzhZEekm |
|---|---|
| InChI | InChI=1S/C29H42O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16-19,25,31-32H,8-13H2,1-7H3,(H,34,35)/t14-,16-,17+,18+,19+,25-,27+,28+,29+/m1/s1 |
| InChIKey | QPEKELRREXLZJP-WGULIUFBSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C29H42O8 |
| Exact Mass | 518.287968 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BsuvYGgEIYZ |
|---|---|
| Name | Lucidenic Acid P |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O8 |
| InChI | InChI=1S/C29H42O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16-19,25,31-32H,8-13H2,1-7H3,(H,34,35)/t14-,16-,17+,18+,19+,25-,27+,28+,29+/m1/s1 |
| InChIKey | QPEKELRREXLZJP-WGULIUFBSA-N |
| Instrument Name | JEOL JMS-GC mate |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0302293 |
| Molecular Weight | 518.647 g/mol |
| Optical Rotation | [a]D25 = +14.7 (c = 0.38, CHCl3) |
| SMILES | O[C@]1(CC[C@@]2(C3=C([C@](C[C@]2(C1(C)C)[H])(O)[H])[C@]1([C@]([C@@](C3=O)(OC(=O)C)[H])([C@](CC1=O)([C@](C)(CCC(O)=O)[H])[H])C)C)C)[H] |
| SPLASH | splash10-0a4i-0109310000-ba92906ef12ba1d7276b |
| Source of Spectrum | G4-66-1585-1a |
| Wiley ID | 1883933 |