$250.00
| CAS No.: | 105274-16-6 |
| Molecular Formula | C₃₂H₃₂O₁₃ |
| Molecular Weight | 624.6g/mol |
| Purity | HPLC>98% |
| Chemical Family | Phenols |
| Weight |
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IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
InChI: InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+/t25-,28-,29+,30-,32-/m1/s1
InChIKey: QIEOAEKNEKYVTH-IQDFXBJLSA-N
Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C=CC3=CC=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Isomeric SMILES: CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC=C(C=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Synonyms: 105274-16-6; 4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-b-D-glucopyranoside; (2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-2-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate; DTXSID301102882; AKOS037515323; 2-Butanone, 4-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)–D-glucopyranosyl]oxy]phenyl]-; 4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]phenyl]-2-butanone; 4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-I(2)-D-glucopyranosyl]oxy]phenyl]-2-butanone
Botanical Source: Rheum tanguticum
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