(Q105162140)

English

(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-(4-Hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

538.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₁₂

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canonical SMILES

O=C(C1=CC=C(O)C(OC)=C1)C(CO)C(COC2OC(CO)C(O)C(O)C2O)CC3=CC=C(O)C(OC)=C3

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isomeric SMILES

COc1cc(C[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](CO)C(=O)c2ccc(O)c(OC)c2)ccc1O

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found in taxon

Saussurea medusa

1 reference

stated in

Biologically active phenols from Saussurea medusa

Identifiers

InChI

InChI=1S/C26H34O12/c1-35-19-8-13(3-5-17(19)29)7-15(12-37-26-25(34)24(33)23(32)21(11-28)38-26)16(10-27)22(31)14-4-6-18(30)20(9-14)36-2/h3-6,8-9,15-16,21,23-30,32-34H,7,10-12H2,1-2H3/t15-,16-,21-,23-,24+,25-,26-/m1/s1

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InChIKey

MECTYIHXYHDGPY-VLOWRSFHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105162140)

(2S,3S)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-1-one

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