| SpectraBase Compound ID | CuHrBmZWt6H |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1 |
| InChIKey | HFZTVRRNBDAJIS-PERNPGNGSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KY0E2HzmAoD |
|---|---|
| Name | Xyloketal A |
| Alternate Name(s) | (3R,3aR,5aR,8R,8aR,10aR,13R,13aR,15aR)-3,5a,8,10a,13,15a-hexamethyl-2,3,3a,7,8,8a,9,12,13,13a,14,15a-dodecahydro-4H,5aH,10aH-furo[2,3-b]difuro[3',2':5,6]pyrano[2,3-f:2,3-h]chromene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-13-10-28-25(4)19(13)7-16-22(31-25)17-8-20-14(2)12-30-27(20,6)33-24(17)18-9-21-15(3)11-29-26(21,5)32-23(16)18/h13-15,19-21H,7-12H2,1-6H3/t13-,14-,15-,19+,20+,21+,25+,26+,27+/m0/s1 |
| InChIKey | HFZTVRRNBDAJIS-PERNPGNGSA-N |
| Molecular Weight | 456.579 g/mol |
| SMILES | C1O[C@@]2(Oc3c(C[C@@]2([C@]1(C)[H])[H])c1c(c2c3C[C@@]3([C@](CO[C@@]3(O2)C)(C)[H])[H])C[C@@]2([C@](CO[C@@]2(O1)C)(C)[H])[H])C |
| SPLASH | splash10-001l-9003000000-e271fb85e76bba9720f3 |
| Source of Spectrum | K1-2004-1269-1 |
| Wiley ID | 1560560 |