(1R,2S,3S,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one (Q105379424)

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chemical compound

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Language	Label	Description	Also known as
English	(1R,2S,3S,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

2-Hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

1 reference

based on heuristic

inferred from SMILES

Speciformin

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2S,3S,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,3R,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,3S,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Spiciformin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Simsiolide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2S,3R,5R,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

1 reference

based on heuristic

inferred from InChI

(1S,2R,3S,5S,8E,11S)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

1 reference

based on heuristic

inferred from InChI

(1R,2R,3S,5R,8E,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

1 reference

based on heuristic

inferred from InChI

Isospeciformin

1 reference

based on heuristic

inferred from InChI

(1S,2S,3S,5R,8E,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2CC(=CCCC3(OC3C(O)C2C1=C)C)C

0 references

isomeric SMILES

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

0 references

found in taxon

Helianthus argophyllus

1 reference

stated in

Three sesquiterpene lactones from Helianthus niveus subsp. canescens and H. argophyllus

Helianthus niveus

1 reference

stated in

Three sesquiterpene lactones from Helianthus niveus subsp. canescens and H. argophyllus

Helianthus petiolaris var. canescens

1 reference

stated in

Three sesquiterpene lactones from Helianthus niveus subsp. canescens and H. argophyllus

Identifiers

InChI

InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12(16)11-9(2)14(17)18-10(11)7-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13-,15+/m0/s1

0 references

InChIKey

ZMFCIMWRPFSUCY-MPFAERRBSA-N

0 references

PubChem CID

163018269

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZMFCIMWRPFSUCY-MPFAERRBSA-N

 

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