| SpectraBase Compound ID | 1WWQaK1CzIL |
|---|---|
| InChI | InChI=1S/C32H48O6/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-19-29(25(6)18-27(26)33)38-32-31(36)30(35)28(34)20-37-32/h10,12,14,16,18-19,28,30-36H,7-9,11,13,15,17,20H2,1-6H3/b22-12+,23-14+,24-16+/t28-,30-,31+,32+/m1/s1 |
| InChIKey | ONIXMLBJNWJBFW-POXPZTCHSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C32H48O6 |
| Exact Mass | 528.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1tpQOTx2eri |
|---|---|
| Name | Nephthoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O6 |
| InChI | InChI=1S/C32H48O6/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-26-19-29(25(6)18-27(26)33)38-32-31(36)30(35)28(34)20-37-32/h10,12,14,16,18-19,28,30-36H,7-9,11,13,15,17,20H2,1-6H3/b22-12+,23-14+,24-16+/t28-,30-,31+,32+/m1/s1 |
| InChIKey | ONIXMLBJNWJBFW-POXPZTCHSA-N |
| Molecular Weight | 528.730 g/mol |
| SMILES | Oc1c(cc(O[C@]2([C@]([C@@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])c(c1)C)C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C |
| SPLASH | splash10-00p1-4912000000-a57cb22a495fa2f2abb6 |
| Source of Spectrum | G4-59-265-4 |
| Synonyms | (2S,3S,4R,5R)-2-[2-methyl-4-oxidanyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]oxane-3,4,5-triol (2S,3S,4R,5R)-2-[4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]oxane-3,4,5-triol (2S,3S,4R,5R)-2-[4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]tetrahydropyran-3,4,5-triol |
| Wiley ID | 1606215 |