| SpectraBase Compound ID | 1f9HkwVgXh0 |
|---|---|
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1 |
| InChIKey | AYBHLNMQTQBJBX-MZBQYYHCSA-N |
| Mol Weight | 732.1 g/mol |
| Molecular Formula | C40H77NO10 |
| Exact Mass | 731.554748 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8MyBLbEBF9r |
|---|---|
| Name | Aralia cerebroside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H77NO10 |
| InChI | InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1 |
| InChIKey | AYBHLNMQTQBJBX-MZBQYYHCSA-N |
| Molecular Weight | 732.053 g/mol |
| SMILES | O[C@]1([C@@]([C@]([C@](OC[C@@]([C@@]([C@](O)(CCC\C=C\CCCCCCCCC)[H])(O)[H])(NC([C@](O)(CCCCCCCCCCCCCC)[H])=O)[H])(O[C@@]1(CO)[H])[H])(O)[H])(O)[H])[H] |
| SPLASH | splash10-0udi-0000090100-fb4bb9845e15e05fc55a |
| Source of Spectrum | G4-62-1060-1 |
| Synonyms | (2R)-N-{(1S,2S,3R,7E)-1-[(.beta.-D-glucopyranosyloxy)methyl]-2,3-dihydroxy-7-heptadecenyl}-2-hydroxyhexadecanamide (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-8-en-2-yl]-2-hydroxyhexadecanamide (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxyhexadecanamide (2R)-N-[(E,1S,2S,3R)-2,3-dihydroxy-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-7-enyl]-2-hydroxy-hexadecanamide (2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)octadec-8-en-2-yl]-2-oxidanyl-hexadecanamide |
| Wiley ID | 1607956 |