(Q105365911)

English

6-[2-[(1R,4R,5S,6S)-4,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-5-yl]ethyl]naphthalene-1,4-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic naphthochinone

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mass

324.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₃

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canonical SMILES

O=C1C=CC(=O)C2=CC(=CC=C12)CCC3(C)C(C)CCC4OC43C

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isomeric SMILES

C[C@@H]1CC[C@H]2O[C@@]2(C)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O

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found in taxon

Varronia linnaei

1 reference

stated in

Antifungal and larvicidal meroterpenoid naphthoquinones and a naphthoxirene from the roots of Cordia linnaei

Identifiers

InChI

InChI=1S/C21H24O3/c1-13-4-9-19-21(3,24-19)20(13,2)11-10-14-5-6-15-16(12-14)18(23)8-7-17(15)22/h5-8,12-13,19H,4,9-11H2,1-3H3/t13-,19-,20+,21-/m1/s1

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InChIKey

YVSLWOTWASHOAO-NHDXWUKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YVSLWOTWASHOAO-NHDXWUKRSA-N

1 reference

(Q105365911)

6-[2-[(1R,4R,5S,6S)-4,5,6-trimethyl-7-oxabicyclo[4.1.0]heptan-5-yl]ethyl]naphthalene-1,4-dione

Statements

Identifiers

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