(Q83000256)

English

2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((1R,4aR,6S,8aS)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]-6,8-dimethoxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

442.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-[[(1S,4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

7-[[(1S,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]-6,8-dimethoxychromen-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₆

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canonical SMILES

O=C1OC=2C(OC)=C(OCC3C(=CCC4C(C)(C)C(O)CCC34C)C)C(OC)=CC2C=C1

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isomeric SMILES

CC1=CC[C@@H]2[C@@]([C@@H]1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)(CC[C@@H](C2(C)C)O)C

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found in taxon

Ferula jaeschkeana

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stated in

Sesquiterpene esters sesquiterpene-coumarin ethers from Ferula jaeskeana

Achillea pseudopectinata

1 reference

stated in

Naturally occurring sesquiterpene-coumarin ethers, VI. New sesquiterpene-isofraxidin ethers fromAchillea depressa

Achillea depressa

1 reference

stated in

Naturally occurring sesquiterpene-coumarin ethers, VI. New sesquiterpene-isofraxidin ethers fromAchillea depressa

Identifiers

InChI

InChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h7-8,10,13,17,19-20,27H,9,11-12,14H2,1-6H3/t17-,19+,20+,26-/m1/s1

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InChIKey

KGVZBKUYBZGQCZ-YMIBRCGYSA-N

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0 references

1 reference

matched by identifier from

InChIKey

KGVZBKUYBZGQCZ-YMIBRCGYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KGVZBKUYBZGQCZ-YMIBRCGYSA-N

DSSTOX compound identifier

DTXCID501431897

0 references

(Q83000256)

2H-1-Benzopyran-2-one, 6,8-dimethoxy-7-(((1R,4aR,6S,8aS)-1,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl)methoxy)-

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