(Q105235082)

English

[(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadec-14-en-3-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,5S,9S,10S,11S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₇

0 references

canonical SMILES

O=C(OC1CC2C(=C)C(=O)OC2C3C4(OOC3(C=C4)C1(O)C)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23

0 references

found in taxon

Ursinia dentata

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Achillea millefolium

2 references

stated in

Peroxide als Pflanzeninhaltsstoffe, 14. Mitt.: Über weitere Guaianolid-Peroxide aus der Schafgarbe,Achillea millefolium L.

stated in

Peroxide Als Pflanzeninhaltsstoffe, 8. Mitt.: Guaianolid‐Peroxide Aus Der Schafgarbe, Achillea Millefolium L., Auslöser Der Schafgarbendermatitis

Achillea distans

1 reference

stated in

Terpenoids from Achillea distans Waldst. & Kit. ex Willed

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-10(2)16(21)24-13-9-12-11(3)17(22)25-14(12)15-18(4)7-8-20(15,27-26-18)19(13,5)23/h6-8,12-15,23H,3,9H2,1-2,4-5H3/b10-6+/t12-,13+,14-,15-,18+,19+,20-/m0/s1

0 references

InChIKey

RETIODDHEFBATD-ISOVPUPJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RETIODDHEFBATD-ISOVPUPJSA-N

(Q105235082)

[(1S,2R,3R,5S,9S,10S,11R)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl] (E)-2-methylbut-2-enoate

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Identifiers

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