(Q110076690)

English

[(1S,2S,5S,6S,7R,8R,9R,12R)-5,8-diacetyloxy-6-(acetyloxymethyl)-2-hydroxy-2,10,10-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-12-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

631.262875752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₁NO₁₂

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canonical SMILES

O=C(OC1C2C(OC(=O)C)C(OC(=O)C(=CC)C)C3(COC(=O)C)C(OC(=O)C)CCC(O)(C)C13OC2(C)C)C=4C=NC=CC4

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@H]2[C@@H](OC(=O)c3cccnc3)[C@]3(OC2(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]13COC(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/C32H41NO12/c1-9-17(2)27(37)44-26-24(42-20(5)36)23-25(43-28(38)21-11-10-14-33-15-21)32(45-29(23,6)7)30(8,39)13-12-22(41-19(4)35)31(26,32)16-40-18(3)34/h9-11,14-15,22-26,39H,12-13,16H2,1-8H3/b17-9+/t22-,23+,24+,25+,26-,30-,31-,32-/m0/s1

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InChIKey

NZZDOQPFOLCASS-RSMYJYEFSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

NZZDOQPFOLCASS-RSMYJYEFSA-N

(Q110076690)

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

Statements

Identifiers

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