(Q105205049)

English

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

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

1 reference

based on heuristic

inferred from SMILES

mass

574.241412036 dalton

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

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

C₃₀H₃₈O₁₁

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canonical SMILES

O=C(OC1CC2C(OC(=O)C)C3(OC2(C)C)C(C)CC(OC(=O)C)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(=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]2OC(C)=O

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found in taxon

Microtropis japonica

1 reference

stated in

Cytotoxic triterpenoids from the stems of Microtropis japonica.

Zinowiewia costaricensis

1 reference

stated in

Reversion of human Pgp-dependent multidrug resistance by new sesquiterpenes from Zinowiewia costaricensis

Zinowiewia integerrima

1 reference

stated in

Reversion of human Pgp-dependent multidrug resistance by new sesquiterpenes from Zinowiewia costaricensis

Identifiers

InChI

InChI=1S/C30H38O11/c1-16-13-23(37-18(3)32)26(39-20(5)34)29(15-36-17(2)31)24(40-27(35)21-11-9-8-10-12-21)14-22-25(38-19(4)33)30(16,29)41-28(22,6)7/h8-12,16,22-26H,13-15H2,1-7H3/t16-,22-,23+,24+,25-,26+,29-,30-/m1/s1

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InChIKey

PBBYYGCXAHKQFJ-YLMNRMNTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBBYYGCXAHKQFJ-YLMNRMNTSA-N

1 reference

(Q105205049)

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

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Identifiers

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