Isocrenatoside

cas: 221895-09-6 — see every product listed under this CAS number, including other names

Isocrenatoside (CAS 221895-09-6) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5 mg, 1 mg. Offered by: GLPBio, MedChemExpress.

brandGLPBio
catalog numberGC71954-1
cas221895-09-6
size1mg
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Available pack sizes

brand size price
GLPBio 1mg 2347.55 Pln
MedChemExpress 5 mg 6310.45 Pln
MedChemExpress 1 mg 2567.39 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 221895-09-6) is a chemical compound with the molecular formula C29H34O15 and a molecular weight of 622.6 g/mol. IUPAC name: [(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: FYNJOHBQQZWZTB-WLLRULDYSA-N.

Identity
Molecular formulaC29H34O15
Molecular weight622.6 g/mol
IUPAC name[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-6-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyFYNJOHBQQZWZTB-WLLRULDYSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]3[C@@H]2O[C@H](CO3)C4=CC(=C(C=C4)O)O)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: isocrenatoside, orb2277522
Isomers (same molecular formula)
5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C29H34O15
2-(3,4-dimethoxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C29H34O15
[(2R,3S,4R,5R,6S)-6-[3-acetyl-2,4,6-trihydroxy-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate C29H34O15
[(4aR,6R,7R,8S,8aS)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C29H34O15
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one C29H34O15
[(1R,3R,4R,5R,6S,8S,13S,15R,16R,17R)-11-(3,4-dihydroxyphenyl)-4,5,17-trihydroxy-15-(hydroxymethyl)-6-methyl-2,7,9,12,14-pentaoxatricyclo[11.3.1.03,8]heptadecan-16-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate C29H34O15

Also listed as

Isocrenatoside, ≥98% Chemat CAS 221895-09-6