| SpectraBase Compound ID | Kt8y2NnCIZW |
|---|---|
| InChI | InChI=1S/C36H38O10/c1-18(2)34-27(42-30(39)22-13-9-7-10-14-22)20(4)35-24-17-19(3)26(38)33(24,40)31(41-21(5)37)32(6)28(43-32)25(35)29(34)44-36(45-34,46-35)23-15-11-8-12-16-23/h7-16,19-20,24-25,27-29,31,40H,1,17H2,2-6H3/t19-,20+,24+,25-,27-,28-,29+,31+,32-,33+,34-,35-,36-/m0/s1 |
| InChIKey | OBZYCBUZPWNMRF-ZAIHCUAXSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C36H38O10 |
| Exact Mass | 630.246497 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K7Na7nWVrwu |
|---|---|
| Name | Trigoxyphin C |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H38O10 |
| InChI | InChI=1S/C36H38O10/c1-18(2)34-27(42-30(39)22-13-9-7-10-14-22)20(4)35-24-17-19(3)26(38)33(24,40)31(41-21(5)37)32(6)28(43-32)25(35)29(34)44-36(45-34,46-35)23-15-11-8-12-16-23/h7-16,19-20,24-25,27-29,31,40H,1,17H2,2-6H3/t19-,20+,24+,25-,27-,28-,29+,31+,32-,33+,34-,35-,36-/m0/s1 |
| InChIKey | OBZYCBUZPWNMRF-ZAIHCUAXSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np100320h |
| Molecular Weight | 630.690 g/mol |
| Optical Rotation | [a]D21 = +36 (c = 0.12, MeOH) |
| Reported Formula | C36H38O10 |
| SMILES | O[C@@]12[C@@]([C@@]3([C@]([C@@]4([C@@]5([C@@]2(C[C@@](C1=O)(C)[H])[H])[C@@]([C@@]([C@]1([C@@]4(O[C@](O5)(O1)c1ccccc1)[H])C(=C)C)(OC(c1ccccc1)=O)[H])(C)[H])[H])(O3)[H])C)(OC(C)=O)[H] |
| SPLASH | splash10-0a6r-9810000000-43b09a7fa5a9c0159ae3 |
| Source of Spectrum | G4-73-1304-3 |
| Wiley ID | 1848984 |