(Q105148548)

English

[(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-(2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-5-[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₃

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canonical SMILES

O=C(OCC=C(C)CCC1C(=CCC2C(C)(C)CC(=O)CC12C)C)C

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isomeric SMILES

CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CC(=O)C[C@]12C

0 references

found in taxon

Baccharis gnidiifolia

1 reference

stated in

ent-clerodanes and other constituents from bolivian Baccharis species

Identifiers

InChI

InChI=1S/C22H34O3/c1-15(11-12-25-17(3)23)7-9-19-16(2)8-10-20-21(4,5)13-18(24)14-22(19,20)6/h8,11,19-20H,7,9-10,12-14H2,1-6H3/b15-11 /t19-,20-,22-/m1/s1

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InChIKey

LABJRCCKHONGEZ-BFSDDTMGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LABJRCCKHONGEZ-BFSDDTMGSA-N

(Q105148548)

[(E)-5-[(1R,4aR,8aS)-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl] acetate

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