(Q105212292)

English

[(1S,2S,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-12-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4,5-Diacetyloxy-6-(acetyloxymethyl)-12-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

652.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₂

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canonical SMILES

O=C(OC1CC2C(OC(=O)C=3C=CC=CC3)C4(OC2(C)C)C(O)(C)CC(OC(=O)C)C(OC(=O)C)C14COC(=O)C)C=5C=CC=CC5

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isomeric SMILES

CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O

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found in taxon

Monteverdia cuzcoina

1 reference

stated in

Anti-tumor promoting effects of sesquiterpenes from Maytenus cuzcoina (Celastraceae)

Identifiers

InChI

InChI=1S/C35H40O12/c1-20(36)42-19-34-27(45-30(39)23-13-9-7-10-14-23)17-25-28(46-31(40)24-15-11-8-12-16-24)35(34,47-32(25,4)5)33(6,41)18-26(43-21(2)37)29(34)44-22(3)38/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33+,34-,35+/m1/s1

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InChIKey

PNZVRNRYBVTQAP-OCRATEHUSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PNZVRNRYBVTQAP-OCRATEHUSA-N

1 reference

(Q105212292)

[(1S,2S,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-6-(acetyloxymethyl)-12-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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