(Q105257712)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[4,12-Diacetyloxy-6-(acetyloxymethyl)-5-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

532.230847352 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₁₀

0 references

canonical SMILES

O=C(OC1CC2C(OC(=O)C)C3(OC2(C)C)C(C)CC(OC(=O)C)C(O)C13COC(=O)C)C=4C=CC=CC4

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isomeric SMILES

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

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found in taxon

Microtropis japonica

1 reference

stated in

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

Identifiers

InChI

InChI=1S/C28H36O10/c1-15-12-21(35-17(3)30)23(32)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-24(36-18(4)31)28(15,27)38-26(20,5)6/h7-11,15,20-24,32H,12-14H2,1-6H3/t15-,20+,21+,22+,23-,24+,27+,28+/m1/s1

0 references

InChIKey

SPZUYBGWJJYLAL-JZCCXIFMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPZUYBGWJJYLAL-JZCCXIFMSA-N

(Q105257712)

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

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Identifiers

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