(Q104993154)

English

(2S)-2-(2-hydroxypropan-2-yl)-5-(4-methylpent-3-enyl)-3,4-dihydro-2H-oxepin-7-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-(2-hydroxypropan-2-yl)-4-(4-methylpent-3-en-1-yl)-6,7-dihydro-5H-oxepin-2-one

1 reference

based on heuristic

inferred from SMILES

mass

252.172544628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄O₃

0 references

canonical SMILES

O=C1OC(CCC(=C1)CCC=C(C)C)C(O)(C)C

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isomeric SMILES

CC(C)=CCCC1=CC(=O)O[C@H](C(C)(C)O)CC1

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found in taxon

Nidorella elliotii

1 reference

stated in

Clerodanes, seco-clerodanes, geranyl geraniol derivatives and unusual sesquiterpenes from Conyza hypoleuca

Identifiers

InChI

InChI=1S/C15H24O3/c1-11(2)6-5-7-12-8-9-13(15(3,4)17)18-14(16)10-12/h6,10,13,17H,5,7-9H2,1-4H3/t13-/m0/s1

0 references

InChIKey

FCHKRRFJEHOLGP-ZDUSSCGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FCHKRRFJEHOLGP-ZDUSSCGKSA-N

(Q104993154)

(2S)-2-(2-hydroxypropan-2-yl)-5-(4-methylpent-3-enyl)-3,4-dihydro-2H-oxepin-7-one

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Identifiers

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