(Q104250503)

English

[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] pyridine-3-carboxylate

group of stereoisomers with the chemical formula C₄₁H₄₃NO₁₂

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

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inferred from

eudesmane sesquiterpenoid

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741.278525816 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₁H₄₃NO₁₂

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canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(C(OC(=O)C=4C=NC=CC4)C(OC(=O)C=5C=CC=CC5)C12COC(=O)C)C3OC(=O)C)C=CC=6C=CC=CC6

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found in taxon

Tripterygium regelii

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stated in

CHEMICAL CONSTITUENTS

Tripterygium wilfordii

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stated in

CHEMICAL CONSTITUENTS

stated in

Structures of triptofordinine A-1 and A-2 determined by two-dimensional NMR spectroscopy. Highly esterified sesquiterpene alkaloids from Tripterygium wilfordii Hook fil. var. regelii Makino.

Identifiers

InChI

InChI=1S/C41H43NO12/c1-25(43)49-24-40-30(51-31(45)19-18-27-13-8-6-9-14-27)20-21-39(5,48)41(40)34(50-26(2)44)32(38(3,4)54-41)33(52-37(47)29-17-12-22-42-23-29)35(40)53-36(46)28-15-10-7-11-16-28/h6-19,22-23,30,32-35,48H,20-21,24H2,1-5H3

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InChIKey

HDEHKRKYWFVKMW-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104250503)

[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-5-(3-phenylprop-2-enoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] pyridine-3-carboxylate

Statements

Identifiers

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