| SpectraBase Compound ID | CQTNbdpQWW6 |
|---|---|
| InChI | InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3/t11-,15-,17+,18-,19-/m1/s1 |
| InChIKey | HEPVWAFOECZRTB-IEXOMYFASA-N |
| Mol Weight | 412.82 g/mol |
| Molecular Formula | C19H21ClO8 |
| Exact Mass | 412.092495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JMbxM3bRzJ5 |
|---|---|
| Name | Patientoside A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H21ClO8 |
| InChI | InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3/t11-,15-,17+,18-,19-/m1/s1 |
| InChIKey | HEPVWAFOECZRTB-IEXOMYFASA-N |
| Molecular Weight | 412.822 g/mol |
| SMILES | O[C@@]1([C@]([C@](Oc2c3c(c(c(c(c3O)C(=O)C)C)Cl)ccc2)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-01p9-0090400000-794d2dd3a2c1b182b518 |
| Source of Spectrum | G4-64-689-1 |
| Synonyms | 7-Acetyl-5-chloro-8-hydroxy-6-methyl-1-naphthyl .beta.-D-glucopyranoside 1-[4-chloro-1-hydroxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-naphthalenyl]ethanone 1-[4-chloro-1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone 1-[4-chloro-1-hydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-naphthyl]ethanone 1-[4-chloranyl-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-1-oxidanyl-naphthalen-2-yl]ethanone |
| Wiley ID | 1609000 |