(Q105117215)

English

[(1S,2R,4S,6S,10S,11R)-12-(hydroxymethyl)-2-methyl-7-methylidene-5,8-dioxo-3,9-dioxatetracyclo[9.3.0.02,4.06,10]tetradec-12-en-1-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[12-(Hydroxymethyl)-2-methyl-7-methylidene-5,8-dioxo-3,9-dioxatetracyclo[9.3.0.02,4.06,10]tetradec-12-en-1-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4S,6S,10S,11R)-12-(hydroxymethyl)-2-methyl-7-methylidene-5,8-dioxo-3,9-dioxatetracyclo[9.3.0.02,4.06,10]tetradec-12-en-1-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

0 references

canonical SMILES

O=C1OC2C(C(=O)C3OC3(C)C4(OC(=O)C(=CC)C)CC=C(CO)C24)C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1C(=O)[C@H]1O[C@@]1(C)[C@]1(OC(=O)/C(C)=C\C)CC=C(CO)[C@H]21

0 references

found in taxon

Eupatorium perfoliatum

1 reference

stated in

Neue sesquiterpenlactone und andere inhaltsstoffe aus vertretern der Eupatorium-gruppe

Identifiers

InChI

InChI=1S/C20H22O7/c1-5-9(2)17(23)27-20-7-6-11(8-21)13(20)15-12(10(3)18(24)25-15)14(22)16-19(20,4)26-16/h5-6,12-13,15-16,21H,3,7-8H2,1-2,4H3/b9-5-/t12-,13-,15-,16-,19-,20+/m1/s1

0 references

InChIKey

IPFKLTPOAQBHJC-IIOJGIGJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPFKLTPOAQBHJC-IIOJGIGJSA-N

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