Products 105591-35-3
CAS 105591-35-3 appears in our catalog under these names: Isochiisanoside/ 98.61% (existing batch purity), Isochiisanoside. Offered by: TargetMol, Chemat. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg.
2-[(1R,2R,5R,8R,9R,10S,11R,13R,14R,15R,18S)-18-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-11-hydroxy-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosan-8-yl]acetic acid (CAS 105591-35-3) is a chemical compound with the molecular formula C48H76O20 and a molecular weight of 973.1 g/mol. IUPAC name: 2-[(1R,2R,5R,8R,9R,10S,11R,13R,14R,15R,18S)-18-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-11-hydroxy-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosan-8-yl]acetic acid. InChIKey: DEXFQQWSJHKUIA-VELBUPAJSA-N.
| Molecular formula | C48H76O20 |
|---|---|
| Molecular weight | 973.1 g/mol |
| IUPAC name | 2-[(1R,2R,5R,8R,9R,10S,11R,13R,14R,15R,18S)-18-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-11-hydroxy-1,2,6,6,9-pentamethyl-15-prop-1-en-2-yl-7-oxapentacyclo[11.7.0.02,10.05,9.014,18]icosan-8-yl]acetic acid |
| InChIKey | DEXFQQWSJHKUIA-VELBUPAJSA-N |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6C[C@H]([C@H]7[C@]([C@@]6(CC5)C)(CC[C@@H]8[C@@]7([C@H](OC8(C)C)CC(=O)O)C)C)O)C(=C)C)O)O)O)CO)O)O)O |
Computed by PubChem (NCBI)
Synonyms:
Isochiisanoside, orb1679936