| SpectraBase Compound ID | L1jfHdM5PKH |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22-23,32,34H,8-17H2,1-7H3/t18-,19-,20+,22+,23+,29+,30-,31+/m1/s1 |
| InChIKey | JSTZMWXBGOXHSZ-CGHXCNIISA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BNgkuQdPXrc |
|---|---|
| Name | Butyl lucidenate N |
| Appearance | White amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-8-9-14-37-25(36)11-10-18(2)19-15-24(35)31(7)27-20(32)16-22-28(3,4)23(34)12-13-29(22,5)26(27)21(33)17-30(19,31)6/h18-20,22-23,32,34H,8-17H2,1-7H3/t18-,19-,20+,22+,23+,29+,30-,31+/m1/s1 |
| InChIKey | JSTZMWXBGOXHSZ-CGHXCNIISA-N |
| Instrument Name | Hewlett-Packard 5989B |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900578h |
| Molecular Weight | 516.719 g/mol |
| Optical Rotation | [a]D25 = +16.0 (c = 0.1, CHCl3) |
| Reported Formula | C31H48O6 |
| SMILES | O[C@]1(CC[C@@]2(C3=C([C@](C[C@]2(C1(C)C)[H])(O)[H])[C@]1([C@](CC3=O)([C@](CC1=O)([C@@](CCC(OCCCC)=O)(C)[H])[H])C)C)C)[H] |
| SPLASH | splash10-0059-1229320000-680905d1d768ebca2cd1 |
| Source of Spectrum | G4-73-176-3 |
| Wiley ID | 1846411 |