(Q105205546)

English

[(1S,2S,4R,5S,6R,7R,9R,12S)-5,12-diacetyloxy-6-(acetyloxymethyl)-4-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

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

1 reference

C₂₈H₃₆O₁₀

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canonical SMILES

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

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isomeric SMILES

CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](O)C[C@H](C)[C@]13OC(C)(C)[C@H](C[C@H]2OC(=O)c1ccccc1)[C@@H]3OC(C)=O

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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

Salacia chinensis

1 reference

stated in

Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis

Identifiers

InChI

InChI=1S/C28H36O10/c1-15-12-21(32)24(36-18(4)31)27(14-34-16(2)29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)30)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+/m0/s1

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InChIKey

PBYYDTQGTBZJGB-NTMCPGJSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBYYDTQGTBZJGB-NTMCPGJSSA-N

(Q105205546)

[(1S,2S,4R,5S,6R,7R,9R,12S)-5,12-diacetyloxy-6-(acetyloxymethyl)-4-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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