| SpectraBase Compound ID | HL0Vg5zkzMr |
|---|---|
| InChI | InChI=1S/C38H58O12/c1-27(37(43)44)13-9-17-35(25-49-31(5)41)21-11-19-33(23-47-29(3)39)15-7-8-16-34(24-48-30(4)40)20-12-22-36(26-50-32(6)42)18-10-14-28(2)38(45)46/h13-14,21-22,33-34H,7-12,15-20,23-26H2,1-6H3,(H,43,44)(H,45,46)/b27-13+,28-14+,35-21+,36-22+ |
| InChIKey | WXVHMPHMSAKDTI-PYKBJEAWSA-N |
| Mol Weight | 706.9 g/mol |
| Molecular Formula | C38H58O12 |
| Exact Mass | 706.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsEB6YNsknt |
|---|---|
| Name | 25,30-DICARBOXY-26,27,28,29-TETRAACETOXY-10,11,14,15-TETRAHYDRO-SQUALENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O12 |
| InChI | InChI=1S/C38H58O12/c1-27(37(43)44)13-9-17-35(25-49-31(5)41)21-11-19-33(23-47-29(3)39)15-7-8-16-34(24-48-30(4)40)20-12-22-36(26-50-32(6)42)18-10-14-28(2)38(45)46/h13-14,21-22,33-34H,7-12,15-20,23-26H2,1-6H3,(H,43,44)(H,45,46)/b27-13+,28-14+,35-21+,36-22+ |
| InChIKey | WXVHMPHMSAKDTI-PYKBJEAWSA-N |
| Literature Reference Author | J.LOKVAM,P.V.A.FINE |
| Literature Reference Citation | MOLECULES,17,7451(2012) |
| Literature Reference DOI | 10.3390/molecules17067451 |
| Molecular Weight | 706.871 g/mol |
| Sample ID | 962 |
| Solvent | DMSO-D6 |