Products 136033-55-1

CAS 136033-55-1 appears in our catalog under these names: Isoastragaloside IV, Isoastragaloside IV, 99.71%, Isoastragaloside IV, 98%. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 2mg, 25mg, 5 mg.

Isoastragaloside IV
TargetMol, Chemat
  • size: 1mg, 5mg, 10mg, 2mg
  • Variants: 5
from 910.49
View product
Isoastragaloside IV, 99.71%
MedChemExpress
  • size: 5 mg
  • Variants: 1
from 1559.64
View product
Isoastragaloside IV, 98%
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 630.80
View product
Structural formula: {0} (CAS {1})

(2S,3R,4S,5S,6R)-2-[2-[(2S,5R)-5-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 136033-55-1) is a chemical compound with the molecular formula C41H68O14 and a molecular weight of 785.0 g/mol. IUPAC name: (2S,3R,4S,5S,6R)-2-[2-[(2S,5R)-5-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: MSSYPWFHLFBMMP-BQAOMNQWSA-N.

Identity
Molecular formulaC41H68O14
Molecular weight785.0 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-[2-[(2S,5R)-5-[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-5-methyloxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyMSSYPWFHLFBMMP-BQAOMNQWSA-N
SMILESC[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H]([C@@H]2[C@]6(CC[C@H](O6)C(C)(C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)O)C)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O

Computed by PubChem (NCBI)

Synonyms: Isoastragaloside IV, orb1297330
Isomers (same molecular formula)
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C41H68O14
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C41H68O14
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-[[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol C41H68O14