| SpectraBase Compound ID | 96gIQzOGcQo |
|---|---|
| InChI | InChI=1S/C30H30N2O10/c1-8-11(2)30(39)42-10-16-17-14(22(33)12(3)27(40-6)25(17)36)9-15-20-18-19(23(34)13(4)28(41-7)26(18)37)24(35)21(31(20)5)29(38)32(15)16/h8-9,16,20-21,34,37H,10H2,1-7H3/b11-8-/t16?,20-,21-/m0/s1 |
| InChIKey | MUHFGDIRAGVTBB-BUYWSUOTSA-N |
| Mol Weight | 578.57 g/mol |
| Molecular Formula | C30H30N2O10 |
| Exact Mass | 578.190045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3EiuAA7ABRO |
|---|---|
| Name | cribrostatin 4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H30N2O10 |
| InChI | InChI=1S/C30H30N2O10/c1-8-11(2)30(39)42-10-16-17-14(22(33)12(3)27(40-6)25(17)36)9-15-20-18-19(23(34)13(4)28(41-7)26(18)37)24(35)21(31(20)5)29(38)32(15)16/h8-9,16,20-21,34,37H,10H2,1-7H3/b11-8-/t16?,20-,21-/m0/s1 |
| InChIKey | MUHFGDIRAGVTBB-BUYWSUOTSA-N |
| Molecular Weight | 578.574 g/mol |
| SMILES | Oc1c2c(c(c(c1C)OC)O)[C@@]1(C=3N(C([C@](C2=O)(N1C)[H])=O)C(C=1C(C(=C(C(C1C3)=O)C)OC)=O)COC(\C(=C/C)C)=O)[H] |
| SPLASH | splash10-000i-0000900000-9af55745e18f1550baed |
| Source of Spectrum | F-67-9192-1 |
| Wiley ID | 1691182 |