(Q105028366)

English

(3S,3aR,5S,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-Ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

234.161979944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aS,5S,6S,7aS)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₂

0 references

canonical SMILES

O=C1OC2CC(C=C)(C)C(C(=C)C)CC2C1C

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isomeric SMILES

C=C[C@@]1(C)C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@H]1C(=C)C

0 references

found in taxon

Callitris columellaris

1 reference

stated in

Callitrin, callitrisin, dihydrocallitrisin, columellarin and dihydrocolumellarin, new sesquiterpene lactones from the heartwood of callitris columellaris.

Identifiers

InChI

InChI=1S/C15H22O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,10-13H,1-2,7-8H2,3-5H3/t10-,11+,12-,13+,15-/m0/s1

0 references

InChIKey

HHMGIPSZHRMYCD-ARUSPNSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HHMGIPSZHRMYCD-ARUSPNSKSA-N

(Q105028366)

(3S,3aR,5S,6R,7aR)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

Statements

Identifiers

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