(Q105281512)

English

[(1R,2R,3S,7R,9R,10S,11R,13R,14R)-2-hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-14-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2-Hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-14-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC1C2OC2C3C(C)CC4OC(=O)C(=C)C4C(O)C13C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@H]4O[C@H]4[C@H](OC(=O)/C(C)=C/C)[C@@]3(C)[C@H](O)[C@H]12

0 references

found in taxon

Helenium puberulum

1 reference

stated in

Pseudoguaianolides and guaianolides from Helenium puberulum

Identifiers

InChI

InChI=1S/C20H26O6/c1-6-8(2)18(22)26-17-15-14(25-15)13-9(3)7-11-12(10(4)19(23)24-11)16(21)20(13,17)5/h6,9,11-17,21H,4,7H2,1-3,5H3/b8-6+/t9-,11-,12-,13-,14-,15-,16-,17+,20-/m1/s1

0 references

InChIKey

UYJDDGUIDPUWHD-SUXGSYMHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYJDDGUIDPUWHD-SUXGSYMHSA-N

(Q105281512)

[(1R,2R,3S,7R,9R,10S,11R,13R,14R)-2-hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-14-yl] (E)-2-methylbut-2-enoate

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Identifiers

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