Products 39491-41-3
CAS 39491-41-3 is the registry number for Ruscin. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[2-[4,5-dihydroxy-2-(14-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 39491-41-3) is a chemical compound with the molecular formula C44H68O17 and a molecular weight of 869.0 g/mol. IUPAC name: 2-[2-[4,5-dihydroxy-2-(14-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: LBBBWHJWPKKHAK-UHFFFAOYSA-N.
| Molecular formula | C44H68O17 |
|---|---|
| Molecular weight | 869.0 g/mol |
| IUPAC name | 2-[2-[4,5-dihydroxy-2-(14-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | LBBBWHJWPKKHAK-UHFFFAOYSA-N |
| SMILES | CC1C2C(CC3C2(CCC4C3CC=C5C4(C(CC(C5)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)OC19CCC(=C)CO9 |
Computed by PubChem (NCBI)
Synonyms:
RUSCIN