(Q110076673)

English

[(1S,2R,5S,6S,7S,8R,9R,12R)-8,12-diacetyloxy-6-(acetyloxymethyl)-5-(furan-3-carbonyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

627.231575624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₇NO₁₂

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canonical SMILES

O=C(OC1CCC(C)C23OC(C)(C)C(C(OC(=O)C)C(OC(=O)C=4C=NC=CC4)C12COC(=O)C)C3OC(=O)C)C5=COC=C5

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](OC(=O)c3ccoc3)CC[C@@H](C)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O

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found in taxon

Tripterygium wilfordii

1 reference

stated in

The genus Tripterygium: A phytochemistry and pharmacological review

Identifiers

InChI

InChI=1S/C32H37NO12/c1-17-9-10-23(43-29(38)22-11-13-39-15-22)31(16-40-18(2)34)27(44-28(37)21-8-7-12-33-14-21)25(41-19(3)35)24-26(42-20(4)36)32(17,31)45-30(24,5)6/h7-8,11-15,17,23-27H,9-10,16H2,1-6H3/t17-,23+,24-,25-,26-,27-,31+,32-/m1/s1

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InChIKey

NQLKZYBDJHUVJQ-KJXAQABYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQLKZYBDJHUVJQ-KJXAQABYSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

NQLKZYBDJHUVJQ-KJXAQABYSA-N

(Q110076673)

[(1S,2R,5S,6S,7S,8R,9R,12R)-8,12-diacetyloxy-6-(acetyloxymethyl)-5-(furan-3-carbonyloxy)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate

Statements

Identifiers

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