| SpectraBase Compound ID | LJfVCHqA14x |
|---|---|
| InChI | InChI=1S/C34H55NO9/c1-7-20(3)27(38)44-26-12-13-28(4)21(31(26,40)18-36)9-10-22-29(28,5)17-33(42)23-16-35-15-19(2)8-11-24(35)30(6,39)34(23,43)25(37)14-32(22,33)41/h7,19,21-26,36-37,39-43H,8-18H2,1-6H3/b20-7-/t19-,21-,22+,23-,24-,25-,26-,28-,29-,30+,31+,32+,33+,34-/m0/s1 |
| InChIKey | UAWUOZZOPDETSZ-JCEPMJHESA-N |
| Mol Weight | 621.8 g/mol |
| Molecular Formula | C34H55NO9 |
| Exact Mass | 621.387682 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KRkyC5A21bh |
|---|---|
| Name | Cevadine |
| Comments | (unverified) |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C34H55NO9 |
| InChI | InChI=1S/C34H55NO9/c1-7-20(3)27(38)44-26-12-13-28(4)21(31(26,40)18-36)9-10-22-29(28,5)17-33(42)23-16-35-15-19(2)8-11-24(35)30(6,39)34(23,43)25(37)14-32(22,33)41/h7,19,21-26,36-37,39-43H,8-18H2,1-6H3/b20-7-/t19-,21-,22+,23-,24-,25-,26-,28-,29-,30+,31+,32+,33+,34-/m0/s1 |
| InChIKey | UAWUOZZOPDETSZ-JCEPMJHESA-N |
| SMILES | O[C@]1([C@](CC[C@]2([C@@]1(CC[C@@]1([C@@]2(C[C@@]2([C@]1(C[C@@]([C@]1([C@]2(CN2[C@]([C@]1(O)C)(CC[C@@](C2)(C)[H])[H])[H])O)(O)[H])O)O)C)[H])[H])C)(OC(\C(C)=C/C)=O)[H])CO |
| SPLASH | splash10-03di-7900010000-ed07caee227612ba4a9b |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |