| SpectraBase Compound ID | LltW0s4DE0B |
|---|---|
| InChI | InChI=1S/C34H50O7/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)17-18-28-20-30(26(6)19-29(28)36)41-34-33(38)32(37)31(21-39-34)40-27(7)35/h11,13,15,17,19-20,31-34,36-38H,8-10,12,14,16,18,21H2,1-7H3/b23-13+,24-15+,25-17+/t31-,32-,33+,34?/m1/s1 |
| InChIKey | OXIWKENPLQGVLM-JENCHYNKSA-N |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C34H50O7 |
| Exact Mass | 570.355654 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2R2CJ1IeTw |
|---|---|
| Name | Nephthoside - 4'-Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H50O7 |
| InChI | InChI=1S/C34H50O7/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)17-18-28-20-30(26(6)19-29(28)36)41-34-33(38)32(37)31(21-39-34)40-27(7)35/h11,13,15,17,19-20,31-34,36-38H,8-10,12,14,16,18,21H2,1-7H3/b23-13+,24-15+,25-17+/t31-,32-,33+,34?/m1/s1 |
| InChIKey | OXIWKENPLQGVLM-JENCHYNKSA-N |
| Molecular Weight | 570.767 g/mol |
| SMILES | O[C@@]1([C@@](COC([C@]1(O)[H])Oc1cc(C\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)c(cc1C)O)(OC(=O)C)[H])[H] |
| SPLASH | splash10-00or-4900200000-260469cd4de21bce4bfa |
| Source of Spectrum | G4-59-265-5 |
| Synonyms | Acetic acid [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]-3-oxanyl] ester [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]oxan-3-yl] acetate [4,5-dihydroxy-6-[4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]tetrahydropyran-3-yl] acetate [6-[2-methyl-4-oxidanyl-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenoxy]-4,5-bis(oxidanyl)oxan-3-yl] ethanoate |
| Wiley ID | 1606214 |