Products 124168-04-3

CAS 124168-04-3 appears in our catalog under these names: 6–O–Vanilloylajugol, 6-O-Vanilloylajugol. Offered by: GLPBio, MedChemExpress. Available pack sizes: 5mg, Get quote.

6–O–Vanilloylajugol
GLPBio
  • size: 5mg
  • Variants: 1
from 2441.16
View product
6-O-Vanilloylajugol
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate (CAS 124168-04-3) is a chemical compound with the molecular formula C23H30O12 and a molecular weight of 498.5 g/mol. IUPAC name: [(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate. InChIKey: PJAISAAYEQAVGA-YYFWYDPZSA-N.

Identity
Molecular formulaC23H30O12
Molecular weight498.5 g/mol
IUPAC name[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate
InChIKeyPJAISAAYEQAVGA-YYFWYDPZSA-N
SMILESC[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)O)OC)O

Computed by PubChem (NCBI)

Synonyms: 6-O-Vanilloylajugol, orb1683367