(Q105347744)

English

[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxy-2-[[(2R)-2-methylbutanoyl]oxymethyl]oxolan-2-yl]oxy-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

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

1 reference

based on heuristic

inferred from SMILES

mass

734.408871284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₂O₁₅

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canonical SMILES

O=C(OC1C(OC(CO)C(O)C1OC(=O)C(C)C)OC2(OC(CO)C(O)C2OC(=O)C(C)CC)COC(=O)C(C)CC)CCCCCCCCC

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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(=O)[C@H](C)CC)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/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3/t22-,23-,24-,25-,27-,28-,29+,30-,31+,35-,36+/m1/s1

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InChIKey

YFQNZOWYPJHOIM-UVGZEBSCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YFQNZOWYPJHOIM-UVGZEBSCSA-N

(Q105347744)

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

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Identifiers

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