| SpectraBase Compound ID | IhwzfIbJCiu |
|---|---|
| InChI | InChI=1S/C34H62O7/c1-11-14-20(2)19-23(5)30(36)21(3)15-12-13-16-28(35)24(6)31(37)26(8)32(38)27(9)33-22(4)17-18-29(41-33)25(7)34(39)40-10/h12,15,19-22,24-33,35-38H,11,13-14,16-18H2,1-10H3/b15-12+,23-19+ |
| InChIKey | FVCSFNMNNBRTIS-RPJVLSHYSA-N |
| Mol Weight | 582.9 g/mol |
| Molecular Formula | C34H62O7 |
| Exact Mass | 582.449554 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4UBp6fSWD7j |
|---|---|
| Name | Griseochelin methyl ester |
| CAS Registry Number | 92587-06-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H62O7 |
| InChI | InChI=1S/C34H62O7/c1-11-14-20(2)19-23(5)30(36)21(3)15-12-13-16-28(35)24(6)31(37)26(8)32(38)27(9)33-22(4)17-18-29(41-33)25(7)34(39)40-10/h12,15,19-22,24-33,35-38H,11,13-14,16-18H2,1-10H3/b15-12+,23-19+ |
| InChIKey | FVCSFNMNNBRTIS-RPJVLSHYSA-N |
| Molecular Weight | 582.863 g/mol |
| SMILES | OC(C(C(C(C(CC\C=C\C(C(\C(=C\C(CCC)C)C)O)C)O)C)O)C)C(C)C1C(CCC(O1)C(C)C(=O)OC)C |
| SPLASH | splash10-0f6x-0961400000-1e7b9b54c1ec4e8302fb |
| Source of Spectrum | KO-15-360-2 |
| Synonyms | 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]-2-oxanyl]propanoic acid methyl ester 2-[5-methyl-6-[(9E,13E)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-octadeca-9,13-dienyl]tetrahydropyran-2-yl]propionic acid methyl ester Methyl 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoate Methyl 2-[5-methyl-6-[(10E,14E)-4,6,12,14,16-pentamethyl-3,5,7,13-tetrakis(oxidanyl)nonadeca-10,14-dien-2-yl]oxan-2-yl]propanoate Methyl 2-[5-methyl-6-[(9E,13E)-2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-octadeca-9,13-dienyl]tetrahydropyran-2-yl]propanoate |
| Wiley ID | 1408680 |