(Q105194358)

English

[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2-[2-(Acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-(2-methylbutanoyloxy)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate

1 reference

based on heuristic

inferred from SMILES

mass

692.361921092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₆O₁₅

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canonical SMILES

O=C(OCC1(OC2OC(CO)C(O)C(OC(=O)C(C)C)C2OC(=O)CCCCCCCCC)OC(CO)C(O)C1OC(=O)C(C)CC)C

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isomeric SMILES

CCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)[C@H](C)CC

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found in taxon

Physalis grisea

1 reference

stated in

Sucrose esters from the fruits of Physalis nicandroides var. attenuata

Identifiers

InChI

InChI=1S/C33H56O15/c1-7-9-10-11-12-13-14-15-24(37)44-28-27(45-30(40)19(3)4)25(38)22(16-34)43-32(28)48-33(18-42-21(6)36)29(26(39)23(17-35)47-33)46-31(41)20(5)8-2/h19-20,22-23,25-29,32,34-35,38-39H,7-18H2,1-6H3/t20-,22-,23-,25-,26-,27+,28-,29+,32-,33+/m1/s1

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InChIKey

OMKDEMOUHIHOJQ-JMXSLSAGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMKDEMOUHIHOJQ-JMXSLSAGSA-N

(Q105194358)

[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate

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Identifiers

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