(1S,4R,7R,9R,10R)-7-(furan-3-yl)-9-methyl-3-methylidene-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-13-en-15-one (Q105280819)

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chemical compound

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Language	Label	Description	Also known as
English	(1S,4R,7R,9R,10R)-7-(furan-3-yl)-9-methyl-3-methylidene-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-13-en-15-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

7-(Furan-3-yl)-9-methyl-3-methylidene-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadec-13-en-15-one

1 reference

based on heuristic

inferred from SMILES

mass

340.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₄

0 references

canonical SMILES

O=C1OCC23C1=CCCC2C4(C)CC(OCC4C(=C)C3)C5=COC=C5

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isomeric SMILES

C=C1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]2(C)C[C@H](c3ccoc3)OC[C@H]12

0 references

found in taxon

Baccharis scoparia

1 reference

stated in

Clerodane and labdane diterpenoids from Baccharis species

Identifiers

InChI

InChI=1S/C21H24O4/c1-13-8-21-12-25-19(22)15(21)4-3-5-18(21)20(2)9-17(24-11-16(13)20)14-6-7-23-10-14/h4,6-7,10,16-18H,1,3,5,8-9,11-12H2,2H3/t16-,17-,18-,20+,21-/m1/s1

0 references

InChIKey

UXHYMHXWRGLCBB-AJGRXUDCSA-N

0 references

PubChem CID

162900306

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UXHYMHXWRGLCBB-AJGRXUDCSA-N

 

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