(Q105342943)

English

(8aS)-7-hydroxy-5,8a-dimethyl-3-propan-2-yl-1H-naphthalene-2,6-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-hydroxy-7-isopropyl-1,4a-dimethyl-5H-naphthalene-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

246.125863436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₈O₃

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canonical SMILES

O=C1C(O)=CC2(C(C=C(C(=O)C2)C(C)C)=C1C)C

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isomeric SMILES

CC1=C2C=C(C(C)C)C(=O)C[C@@]2(C)C=C(O)C1=O

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found in taxon

Baccharis boliviensis

2 references

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Baccharis bolivensis

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C15H18O3/c1-8(2)10-5-11-9(3)14(18)13(17)7-15(11,4)6-12(10)16/h5,7-8,17H,6H2,1-4H3/t15-/m0/s1

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InChIKey

XVKRAGCXZRUPEO-HNNXBMFYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XVKRAGCXZRUPEO-HNNXBMFYSA-N

(Q105342943)

(8aS)-7-hydroxy-5,8a-dimethyl-3-propan-2-yl-1H-naphthalene-2,6-dione

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