(Q105256092)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

728.268020708 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄O₁₅

0 references

canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(COC(=O)C(C)C)C(OC(=O)C)C(OC(=O)C)CC(O)(C)C43OC(C)(C)C1C4OC(=O)C)C5=COC=C5

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isomeric SMILES

CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@@H](OC(=O)c4ccoc4)[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)C(C)C)[C@H]1OC(C)=O)[C@H]3OC(C)=O

0 references

found in taxon

Celastrus angulatus

1 reference

stated in

Five new insecticidal sesquiterpenoids from Celastrus angulatus

Identifiers

InChI

InChI=1S/C37H44O15/c1-19(2)31(41)46-18-36-28(48-21(4)39)25(47-20(3)38)16-35(8,44)37(36)29(49-22(5)40)26(34(6,7)52-37)27(50-33(43)24-14-15-45-17-24)30(36)51-32(42)23-12-10-9-11-13-23/h9-15,17,19,25-30,44H,16,18H2,1-8H3/t25-,26+,27+,28-,29+,30-,35-,36-,37-/m0/s1

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InChIKey

SMPQVRAZXSOPQP-RERFATMLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMPQVRAZXSOPQP-RERFATMLSA-N

(Q105256092)

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

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Identifiers

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