Verbenalin (Standard)

cas: 548-37-8 — see every product listed under this CAS number, including other names

Verbenalin (Standard) (CAS 548-37-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

Verbenalin is a terpene glycoside.

Source: ChEBI

Identity
Molecular formulaC17H24O10
Molecular weight388.4 g/mol
IUPAC namemethyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
InChIKeyHLXRWTJXGMHOFN-XJSNKYLASA-N
SMILESC[C@H]1CC(=O)[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Verbenalin, Verbenaloside, Cornin (glycoside), cornin iridoid, Cornin, Verbenalol, beta-D-glucopyranoside, Glucopyranoside, verbenalol, beta-D-, Verbenalin CRS, HLXRWTJXGMHOFN-XJSNKYLASA-N, Cornin, verbenaloside
Isomers (same molecular formula)
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate C17H24O10
[(2R,3R,4S,5R,6S)-3,5,6-triacetyloxy-4-prop-2-enoxyoxan-2-yl]methyl acetate C17H24O10
5-ethenyl-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one C17H24O10
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate C17H24O10
(3S,4aS,5R,6S)-5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one C17H24O10
[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate C17H24O10
methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate C17H24O10
[(3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methyl-2-prop-2-enoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate C17H24O10
methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate C17H24O10
methyl 7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate C17H24O10
2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)oxiran-2-yl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol C17H24O10

Also listed as

Verbenalinp GLPBio CAS 548-37-8
Verbenalin/ 99.88% (existing batch purity) TargetMol CAS 548-37-8
Verbenalin Biosynth CAS 548-37-8
Verbenalin, 99.90% MedChemExpress CAS 548-37-8
Verbenalin, 98% Ambeed CAS 548-37-8

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