| SpectraBase Compound ID | EWkmXSc2Vls |
|---|---|
| InChI | InChI=1S/C36H38O16/c1-19(37)48-28-8-6-24(14-30(28)50-21(3)39)10-12-44-32-18-46-33(42)16-26-27(17-47-36(34(26)32)52-23(5)41)35(43)45-13-11-25-7-9-29(49-20(2)38)31(15-25)51-22(4)40/h6-9,14-15,17,26,32,34,36H,10-13,16,18H2,1-5H3/t26-,32-,34+,36+/m1/s1 |
| InChIKey | GRLBIPPCWAOBGT-PUXWDWPNSA-N |
| Mol Weight | 726.7 g/mol |
| Molecular Formula | C36H38O16 |
| Exact Mass | 726.215985 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ElAY4GrA9BJ |
|---|---|
| Name | 1,6',5',6'-Tetraacetyl-5'-acetoxy-Jasmolactone D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H38O16 |
| InChI | InChI=1S/C36H38O16/c1-19(37)48-28-8-6-24(14-30(28)50-21(3)39)10-12-44-32-18-46-33(42)16-26-27(17-47-36(34(26)32)52-23(5)41)35(43)45-13-11-25-7-9-29(49-20(2)38)31(15-25)51-22(4)40/h6-9,14-15,17,26,32,34,36H,10-13,16,18H2,1-5H3/t26-,32-,34+,36+/m1/s1 |
| InChIKey | GRLBIPPCWAOBGT-PUXWDWPNSA-N |
| Molecular Weight | 726.684 g/mol |
| SMILES | C=1([C@@]2([C@]([C@@](COC(C2)=O)(OCCc2cc(OC(=O)C)c(cc2)OC(=O)C)[H])([H])[C@@](OC1)(OC(=O)C)[H])[H])C(=O)OCCc1cc(OC(=O)C)c(cc1)OC(=O)C |
| SPLASH | splash10-0udr-0900000000-bd17101b60a5121b7057 |
| Source of Spectrum | X2-52-1069-4 |
| Wiley ID | 1603278 |