Products 125640-33-7
CAS 125640-33-7 is the registry number for Cucumechinoside D. Offered by: MedChemExpress. Available pack sizes: Get quote.
[6-[4,5-dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methyl-2-oxopentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CAS 125640-33-7) is a chemical compound with the molecular formula C54H84O32S3 and a molecular weight of 1341.4 g/mol. IUPAC name: [6-[4,5-dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methyl-2-oxopentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate. InChIKey: CEMJJEHGFGIXGV-UHFFFAOYSA-N.
| Molecular formula | C54H84O32S3 |
|---|---|
| Molecular weight | 1341.4 g/mol |
| IUPAC name | [6-[4,5-dihydroxy-6-[4-hydroxy-2-[[2,6,13,17,17-pentamethyl-6-(4-methyl-2-oxopentyl)-4,8-dioxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-en-16-yl]oxy]-5-sulfooxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-4-[3,5-dihydroxy-4-methoxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate |
| InChIKey | CEMJJEHGFGIXGV-UHFFFAOYSA-N |
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(=O)CC6(C5=CCC4C3(C)C)C)C(OC7=O)(C)CC(=O)CC(C)C)C)OS(=O)(=O)O)O)O)O)OC8C(C(C(C(O8)COS(=O)(=O)O)O)OC9C(C(C(C(O9)COS(=O)(=O)O)O)OC)O)O |
Computed by PubChem (NCBI)
Synonyms:
Cucumechinoside D