(Q104959797)

English

[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxan-2-yl]methyl 3,5-dimethoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4,5-Trihydroxy-6-[4-(4-hydroxyphenyl)butan-2-yloxy]oxan-2-yl]methyl 3,5-dimethoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

654.252370644 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxan-2-yl]methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₂O₁₅

0 references

canonical SMILES

O=C(OCC1OC(OC(C)CCC2=CC=C(O)C=C2)C(O)C(O)C1O)C3=CC(OC)=C(OC4OC(C)C(O)C(O)C4O)C(OC)=C3

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isomeric SMILES

COc1cc(C(=O)OC[C@@H]2O[C@H](O[C@H](C)CCc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Rheum maximowiczii

1 reference

stated in

Phenylbutanoids and stilbene derivatives of Rheum maximowiczii

Identifiers

InChI

InChI=1S/C31H42O15/c1-14(5-6-16-7-9-18(32)10-8-16)43-30-27(38)25(36)23(34)21(45-30)13-42-29(39)17-11-19(40-3)28(20(12-17)41-4)46-31-26(37)24(35)22(33)15(2)44-31/h7-12,14-15,21-27,30-38H,5-6,13H2,1-4H3/t14-,15+,21+,22+,23+,24-,25-,26+,27+,30+,31-/m1/s1

0 references

InChIKey

CIHMYYKGIXISGM-XMZRNWDDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CIHMYYKGIXISGM-XMZRNWDDSA-N

(Q104959797)

[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]oxyoxan-2-yl]methyl 3,5-dimethoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate

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