![2-Hydroxy-6-[((16R).beta.,D-mannnopyranosyloxy)heptadecyl]benzoic acid](/api/spectrum/IePRubkuO7H/structure.png?h=300&w=458 "2-Hydroxy-6-[((16R).beta.,D-mannnopyranosyloxy)heptadecyl]benzoic acid")
| SpectraBase Compound ID | LJJHpPEF6t4 |
|---|---|
| InChI | InChI=1S/C30H50O9/c1-21(38-30-28(35)27(34)26(33)24(20-31)39-30)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-22-18-15-19-23(32)25(22)29(36)37/h15,18-19,21,24,26-28,30-35H,2-14,16-17,20H2,1H3,(H,36,37)/t21-,24-,26-,27+,28+,30-/m1/s1 |
| InChIKey | ODOOFVGHZRHKCR-IJIBSPAMSA-N |
| Mol Weight | 554.7 g/mol |
| Molecular Formula | C30H50O9 |
| Exact Mass | 554.345483 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IePRubkuO7H |
|---|---|
| Name | 2-Hydroxy-6-[((16R).beta.,D-mannnopyranosyloxy)heptadecyl]benzoic acid |
| Alternate Name(s) | 2-[(16R)-16-(hexopyranosyloxy)heptadecyl]-6-hydroxybenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O9 |
| InChI | InChI=1S/C30H50O9/c1-21(38-30-28(35)27(34)26(33)24(20-31)39-30)16-13-11-9-7-5-3-2-4-6-8-10-12-14-17-22-18-15-19-23(32)25(22)29(36)37/h15,18-19,21,24,26-28,30-35H,2-14,16-17,20H2,1H3,(H,36,37)/t21-,24-,26-,27+,28+,30-/m1/s1 |
| InChIKey | ODOOFVGHZRHKCR-IJIBSPAMSA-N |
| Molecular Weight | 554.721 g/mol |
| SMILES | O[C@@]1([C@@]([C@](O[C@@](CCCCCCCCCCCCCCCc2c(c(ccc2)O)C(=O)O)(C)[H])(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0a59-3903000000-1d659de1d939ace92993 |
| Source of Spectrum | F-52-15077-1 |
| Wiley ID | 799708 |