(Q105218929)

English

[(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-2-hydroxy-2,10,10-trimethyl-6-[[(2R)-2-methylbutanoyl]oxymethyl]-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5,12-Triacetyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylbutanoyloxymethyl)-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

708.299320836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₈O₁₅

0 references

canonical SMILES

O=C(OC1C(OC(=O)C(C)C)C2C(OC(=O)C)C3(OC2(C)C)C(O)(C)CC(OC(=O)C)C(OC(=O)C)C13COC(=O)C(C)CC)C4=COC=C4

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isomeric SMILES

CC[C@@H](C)C(=O)OC[C@@]12[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)c1ccoc1)[C@H]3OC(C)=O

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found in taxon

Celastrus angulatus

1 reference

stated in

Five new insecticidal sesquiterpenoids from Celastrus angulatus

Identifiers

InChI

InChI=1S/C35H48O15/c1-11-18(4)30(40)44-16-34-26(46-20(6)37)23(45-19(5)36)14-33(10,42)35(34)27(47-21(7)38)24(32(8,9)50-35)25(48-29(39)17(2)3)28(34)49-31(41)22-12-13-43-15-22/h12-13,15,17-18,23-28,42H,11,14,16H2,1-10H3/t18-,23+,24-,25-,26+,27-,28+,33+,34+,35+/m1/s1

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InChIKey

QDQMEZHVPUKELZ-FSTPEVBWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105218929)

[(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-2-hydroxy-2,10,10-trimethyl-6-[[(2R)-2-methylbutanoyl]oxymethyl]-8-(2-methylpropanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate

Statements

Identifiers

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