(Q105141178)

English

[(1R,2S,5S,6S,7S,9R)-2-hydroxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[2-Hydroxy-2,6,10,10-tetramethyl-7-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

(5S,6S)-2-hydroxy-2,6,10,10-tetramethyl-7-{[(2E)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

1 reference

based on heuristic

inferred from SMILES

504.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₆O₆

0 references

canonical SMILES

O=C(OC1CC2CC3(OC2(C)C)C(O)(C)CCC(OC(=O)C=4C=CC=CC4)C13C)C=CC=5C=CC=CC5

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isomeric SMILES

CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)/C=C/c1ccccc1)[C@]2(C)[C@@H](OC(=O)c1ccccc1)CC[C@]3(C)O

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Tripterygium wilfordii

1 reference

Sesquiterpene esters from Tripterygium wilfordii hook fil. var. Regelii structures of triptofordins A-C-1

Identifiers

InChI=1S/C31H36O6/c1-28(2)23-19-25(35-26(32)16-15-21-11-7-5-8-12-21)30(4)24(36-27(33)22-13-9-6-10-14-22)17-18-29(3,34)31(30,20-23)37-28/h5-16,23-25,34H,17-20H2,1-4H3/b16-15+/t23-,24+,25+,29+,30+,31+/m1/s1

0 references

KHJAZXFTLKRBGR-ADUYIFDVSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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