(Q105003691)

English

(3aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-Hydroxy-5,8a-dimethyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀O₃

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canonical SMILES

O=C1OC2CC3(C(=CC2C1=C)C(O)(C)CCC3)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@](C)(O)C3=C[C@H]12

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found in taxon

Calea szyszylowiczii

1 reference

stated in

Germacranolide und Eudesmanolide ausCalea szyszylowiczii

Ursinia eckloniana

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C15H20O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h7,10-11,17H,1,4-6,8H2,2-3H3/t10-,11-,14-,15+/m1/s1

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InChIKey

FWXQRJXNYYJTDY-FKGLVLAHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWXQRJXNYYJTDY-FKGLVLAHSA-N

(Q105003691)

(3aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one

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Identifiers

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