| SpectraBase Compound ID | Fxu0JScxA7c |
|---|---|
| InChI | InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34?,35-,36-/m0/s1 |
| InChIKey | XWPPHGONALRWBY-POGYLXGYSA-N |
| Mol Weight | 606.7 g/mol |
| Molecular Formula | C36H34N2O7 |
| Exact Mass | 606.236601 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5yKZphp2MUN |
|---|---|
| Name | Cancentrine - (f-22) |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H34N2O7 |
| InChI | InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34?,35-,36-/m0/s1 |
| InChIKey | XWPPHGONALRWBY-POGYLXGYSA-N |
| Molecular Weight | 606.675 g/mol |
| SMILES | Oc1c2c(C=3C([C@]4(N5C3c3c(c(OC)ccc3CC5)O2)C2[C@@]35c6c(ccc(c6O2)OC)C[C@]([C@@]5(C4)[H])(N(C)CC3)[H])=O)ccc1OC |
| SPLASH | splash10-0a4r-0744009000-6f3a26d81f4d41f11514 |
| Source of Spectrum | X2-47-767-46 |
| Wiley ID | 1601557 |