| SpectraBase Compound ID | 5SC9dY3GaEC |
|---|---|
| InChI | InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18?,22-,26+,27-,28+/m0/s1 |
| InChIKey | YDYHOAALGZGNKR-KTIJEDIRSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C28H40O10 |
| Exact Mass | 536.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LRvhJE3MMj |
|---|---|
| Name | SORBIFOLIVALTRATE_D;1-(3-METHYLCROTONYL)-7-(3-METHYLVALERYL)-10-ISO-VALERYL-11-ACETYLVALTRATE_HYDRINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O10 |
| InChI | InChI=1S/C28H40O10/c1-8-18(6)11-25(32)37-22-12-21-20(13-34-19(7)29)14-35-27(38-24(31)10-17(4)5)26(21)28(22,33)15-36-23(30)9-16(2)3/h10,12,14,16,18,22,26-27,33H,8-9,11,13,15H2,1-7H3/t18?,22-,26+,27-,28+/m0/s1 |
| InChIKey | YDYHOAALGZGNKR-KTIJEDIRSA-N |
| Literature Reference Author | Y.M.XU,S.P.MCLAUGHLIN,A.A.L.GUNATILAKA |
| Literature Reference Citation | J.NAT.PROD.,70,2045(2007) |
| Literature Reference DOI | 10.1021/np0704553 |
| Molecular Weight | 536.620 g/mol |
| Sample ID | 31288 |
| Solvent | CDCl3 |