Produkty 1034402-86-2

CAS 1034402-86-2 to numer rejestracyjny substancji Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-（6-O-malonyl）-β-D-glucoside, ≥98%. Oferty producentów: Chemat. Dostępne opakowania: 5mg.

Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-（6-O-malonyl）-β-D-glucoside, ≥98%
Chemat
  • opakowanie: 5mg
  • Warianty: 1
od 2723,60
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Wzór strukturalny: {0} (CAS {1})

[3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium (CAS 1034402-86-2) to związek chemiczny o wzorze sumarycznym C45H51O26+ i masie molowej 1007.9 g/mol. Nazwa systematyczna IUPAC: [3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium. InChIKey: PINNYRSMHPKZLC-XRLIYFNWSA-O.

Dane identyfikacyjne
Wzór sumarycznyC45H51O26+
Masa molowa1007.9 g/mol
Nazwa IUPAC[3-[[(2R,3S,4S,5R,6S)-6-[[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoyl]oxidanium
InChIKeyPINNYRSMHPKZLC-XRLIYFNWSA-O
SMILESC1C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)[OH2+])O)O)O)O)OC(=C1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=C(C=C7)O

Dane obliczone przez PubChem (NCBI)

Synonimy: Pelargonidin 3-O-[6-O-(E)-Caffeoyl Sophoroside]-5-O-6-O-malonyl-beta-D-glucoside