((1S,4aR,5S,7aS)-5-Hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl 4-hydroxybenzoate, 98%

cas: 11027-63-7 — see every product listed under this CAS number, including other names

((1S,4aR,5S,7aS)-5-Hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl)methyl 4-hydroxybenzoate, 98% (CAS 11027-63-7) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 50mg, 100mg. Offered by: BLDpharm.

brandBLDpharm
catalog numberBD112831-5mg
cas11027-63-7
size5mg
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Available pack sizes

brand size price
BLDpharm 5mg 925.25 Pln
BLDpharm 10mg 1563.92 Pln
BLDpharm 50mg 2024.87 Pln
BLDpharm 100mg 3068.94 Pln

properties

purity98%
delivery time 1-2 weeks
Structural formula: {0} (CAS {1})

Agnuside is a benzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with the primary hydroxy group of aucubin. It is an iridoid glycoside found in several Vitex plants including Vitex agnus-castus. It has a role as a cyclooxygenase 2 inhibitor, an anti-inflammatory agent, a pro-angiogenic agent and a plant metabolite. It is a beta-D-glucoside, a member of phenols, a benzoate ester, a cyclopentapyran, an iridoid monoterpenoid, a terpene glycoside and a monosaccharide derivative. It is functionally related to an aucubin.

Source: ChEBI

Identity
Molecular formulaC22H26O11
Molecular weight466.4 g/mol
IUPAC name[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
InChIKeyGLACGTLACKLUJX-QNAXTHAFSA-N
SMILESC1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2COC(=O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

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