| SpectraBase Compound ID | 8DryYl9UQHy |
|---|---|
| InChI | InChI=1S/C34H40O14/c1-15(35)42-21-23-30(5,6)47-20(39)10-12-31(23,7)24-22(43-16(2)36)27(45-18(4)38)33(9)25(19-11-13-41-14-19)46-29(40)28-34(33,48-28)32(24,8)26(21)44-17(3)37/h10-14,21-28H,1-9H3/t21-,22+,23+,24-,25+,26-,27-,28-,31+,32+,33-,34+/m1/s1 |
| InChIKey | MFTJTVBEGOKYTQ-OQWHITEVSA-N |
| Mol Weight | 672.7 g/mol |
| Molecular Formula | C34H40O14 |
| Exact Mass | 672.241806 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Ete23WmclX |
|---|---|
| Name | Perforin A |
| Alternate Name(s) | (1S,3aS,4aS,4bS,5S,6R,6aS,11aR,11bR,12S,13S,13aR)-5,12,13-tris(acetyloxy)-1-(3-furyl)-4b,7,7,11a,13a-pentamethyl-3,9-dioxo-1,3,3a,4b,5,6,6a,7,9,11a,11b,12,13,13a-tetradecahydrooxireno[2'',3'':4',5']pyrano[4',3':5,6]naphtho[2,1-c]oxepin-6-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H40O14 |
| InChI | InChI=1S/C34H40O14/c1-15(35)42-21-23-30(5,6)47-20(39)10-12-31(23,7)24-22(43-16(2)36)27(45-18(4)38)33(9)25(19-11-13-41-14-19)46-29(40)28-34(33,48-28)32(24,8)26(21)44-17(3)37/h10-14,21-28H,1-9H3/t21-,22+,23+,24-,25+,26-,27-,28-,31+,32+,33-,34+/m1/s1 |
| InChIKey | MFTJTVBEGOKYTQ-OQWHITEVSA-N |
| Molecular Weight | 672.680 g/mol |
| SMILES | [C@]123[C@]([C@](c4cocc4)(OC([C@]1(O2)[H])=O)[H])([C@](OC(=O)C)([C@]([C@@]1([C@]2(C=CC(=O)OC([C@@]2([C@]([C@]([C@@]31C)(OC(=O)C)[H])(OC(=O)C)[H])[H])(C)C)C)[H])(OC(=O)C)[H])[H])C |
| SPLASH | splash10-0006-9100000000-f310bd11bd8f661c4676 |
| Source of Spectrum | H1-43-662-4 |
| Wiley ID | 757741 |