(Q105232914)

English

[(2R,4S,4aR,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-4,4a,7,8-tetramethyl-3-oxo-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

8-[2-(furan-3-yl)ethyl]-4,4a,7,8-tetramethyl-3-oxo-hexahydro-1H-naphthalen-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=C(OC1C(=O)C(C)C2(C)CCC(C)C(C)(CCC3=COC=C3)C2C1)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(C)[C@H](C)C1=O

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found in taxon

Baccharis boliviensis

1 reference

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/C22H32O4/c1-14-6-9-22(5)15(2)20(24)18(26-16(3)23)12-19(22)21(14,4)10-7-17-8-11-25-13-17/h8,11,13-15,18-19H,6-7,9-10,12H2,1-5H3/t14-,15-,18-,19-,21 ,22 /m1/s1

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InChIKey

RAWJLQOZIWQUKM-UQVWTVIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RAWJLQOZIWQUKM-UQVWTVIVSA-N

(Q105232914)

[(2R,4S,4aR,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-4,4a,7,8-tetramethyl-3-oxo-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl] acetate

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Identifiers

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