(Q105032392)

English

[(1S,2S,5S,6S,7S,9R,12R)-12-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

[12-Benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

600.247166112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₆N₂O₈

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canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(CC(OC(=O)C=4C=NC=CC4)C12C)C3OC(=O)C=5C=CC=CC5)C=6C=NC=CC6

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isomeric SMILES

CC1(C)O[C@]23[C@H](OC(=O)c4ccccc4)[C@H]1C[C@H](OC(=O)c1cccnc1)[C@]2(C)[C@@H](OC(=O)c1cccnc1)CC[C@]3(C)O

0 references

found in taxon

Tripterygium wilfordii

1 reference

stated in

Sesquiterpene polyol esters from Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C34H36N2O8/c1-31(2)24-18-26(42-30(39)23-13-9-17-36-20-23)33(4)25(41-29(38)22-12-8-16-35-19-22)14-15-32(3,40)34(33,44-31)27(24)43-28(37)21-10-6-5-7-11-21/h5-13,16-17,19-20,24-27,40H,14-15,18H2,1-4H3/t24-,25+,26+,27-,32+,33+,34+/m1/s1

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InChIKey

HQQYEJRHKSTVGF-HOAUSIGRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HQQYEJRHKSTVGF-HOAUSIGRSA-N

(Q105032392)

[(1S,2S,5S,6S,7S,9R,12R)-12-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-7-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] pyridine-3-carboxylate

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