Aciculatin

cas: 134044-97-6 — see every product listed under this CAS number, including other names

Aciculatin (CAS 134044-97-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

Aciculatin is a C-glycosyl compound and a member of flavonoids.

Source: ChEBI

Identity
Molecular formulaC22H22O8
Molecular weight414.4 g/mol
IUPAC name8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
InChIKeyRUTGHCUXABPJTJ-VAXHSPNUSA-N
SMILESC[C@@H]1[C@H]([C@H](C[C@H](O1)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)O)O

Computed by PubChem (NCBI)

Synonyms: Aciculatin
Isomers (same molecular formula)
dimethyl (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate C22H22O8
(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5S,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5R,5aR,8aS,9R)-9-[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]-5-hydroxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
5,7-dihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]-3,6-dimethoxychromen-4-one C22H22O8
(5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one C22H22O8
dimethyl (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate C22H22O8

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