(Q105254019)

English

4-O-[[4-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl] 1-O-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2S)-2-[(2S)-butan-2-yl]-2-hydroxybutanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-O-[[4-(6-ethyl-3,4,5-trihydroxyoxan-2-yl)oxyphenyl]methyl] 1-O-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-butan-2-yl-2-hydroxybutanedioate

1 reference

based on heuristic

inferred from SMILES

mass

724.294235456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₆

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canonical SMILES

O=C(OCC1=CC=C(OC2OC(CC)C(O)C(O)C2O)C=C1)CC(O)(C(=O)OCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3)C(C)CC

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isomeric SMILES

CC[C@H](C)[C@@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CC)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

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found in taxon

Osmanthus armatus

1 reference

stated in

Constituents from the heartwoods of Osmanthus armatus

Identifiers

InChI

InChI=1S/C35H48O16/c1-4-18(3)35(45,34(44)47-17-20-8-12-22(13-9-20)49-33-31(43)29(41)27(39)24(15-36)51-33)14-25(37)46-16-19-6-10-21(11-7-19)48-32-30(42)28(40)26(38)23(5-2)50-32/h6-13,18,23-24,26-33,36,38-43,45H,4-5,14-17H2,1-3H3/t18-,23+,24+,26+,27+,28-,29-,30+,31+,32+,33+,35-/m0/s1

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InChIKey

SITFCALXASVWRP-CMWYEXDCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SITFCALXASVWRP-CMWYEXDCSA-N

(Q105254019)

4-O-[[4-[(2S,3R,4S,5S,6R)-6-ethyl-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methyl] 1-O-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2S)-2-[(2S)-butan-2-yl]-2-hydroxybutanedioate

Statements

Identifiers

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