Products 561007-63-4

CAS 561007-63-4 appears in our catalog under these names: Proto–pa, Parisaponin I. Offered by: GLPBio, Biosynth. Available pack sizes: 1mg, 25mg, 10mg, 50mg.

Proto–pa
GLPBio
  • size: 1mg
  • Variants: 1
from 1678.24
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Parisaponin I
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

2-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CAS 561007-63-4) is a chemical compound with the molecular formula C50H82O22 and a molecular weight of 1035.2 g/mol. IUPAC name: 2-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol. InChIKey: FAFUWLJMHOPRJO-UHFFFAOYSA-N.

Identity
Molecular formulaC50H82O22
Molecular weight1035.2 g/mol
IUPAC name2-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
InChIKeyFAFUWLJMHOPRJO-UHFFFAOYSA-N
SMILESCC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Proto-pa, Parisaponin I
Isomers (same molecular formula)
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol C50H82O22