(Q105139055)

English

[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(2-Hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2S,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1CC(O)(C)C23OOC(C=C2)(C)C3C4OC(=O)C(C)C14)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12

0 references

found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-10(2)16(21)24-12-9-19(5,23)20-8-7-18(4,26-27-20)15(20)14-13(12)11(3)17(22)25-14/h6-8,11-15,23H,9H2,1-5H3/b10-6-/t11-,12-,13+,14-,15-,18+,19+,20-/m0/s1

0 references

InChIKey

KDARIUDGXONUBS-MQZLVKNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KDARIUDGXONUBS-MQZLVKNTSA-N

(Q105139055)

[(1S,2R,4S,5R,6S,9S,10S,11R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-4-yl] (Z)-2-methylbut-2-enoate

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