SpectraBase Compound ID | 8KtXndEbfIs |
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InChI | InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 |
InChIKey | KBDSLGBFQAGHBE-MSGMIQHVSA-N |
Mol Weight | 470.52 g/mol |
Molecular Formula | C26H30O8 |
Exact Mass | 470.194068 g/mol |
SpectraBase Spectrum ID | 7cfj7E78r3L |
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Name | Limonin |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 361496 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H30O8 |
InChI | InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 |
InChIKey | KBDSLGBFQAGHBE-MSGMIQHVSA-N |
Molecular Weight | 470.518 g/mol |
Observed nucleus | 13C |
Solvent | DMSO-d6 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_013922 |