Products 105273-99-2
CAS 105273-99-2 is the registry number for Isochiisanoside methyl ester. Offered by: MedChemExpress. Available pack sizes: Get quote.
[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-8-(2-methoxy-2-oxoethyl)-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosane-18-carboxylate (CAS 105273-99-2) is a chemical compound with the molecular formula C49H78O20 and a molecular weight of 987.1 g/mol. IUPAC name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-8-(2-methoxy-2-oxoethyl)-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosane-18-carboxylate. InChIKey: ITQYJNNFOOJKNA-UHFFFAOYSA-N.
| Molecular formula | C49H78O20 |
|---|---|
| Molecular weight | 987.1 g/mol |
| IUPAC name | [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 11-hydroxy-8-(2-methoxy-2-oxoethyl)-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosane-18-carboxylate |
| InChIKey | ITQYJNNFOOJKNA-UHFFFAOYSA-N |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CC(C7C(C6(CC5)C)(CCC8C7(C(OC8(C)C)CC(=O)OC)C)C)O)C(=C)C)O)O)O)CO)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
orb2893553