(Q105279272)

English

(Z)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal

chemical compound

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instance of

type of chemical entity

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subclass of

5-(6-hydroxy-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl)-3-methylpent-2-enal

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(Z)-5-[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC1=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC/C(C)=C\C=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/C20H30O3/c1-13(10-11-21)6-8-15-14(2)7-9-17-19(3,4)18(23)16(22)12-20(15,17)5/h7,10-11,15,17-18,23H,6,8-9,12H2,1-5H3/b13-10-/t15-,17-,18-,20 /m1/s1

0 references

InChIKey

UUEMHYJUQLXVQF-BEHIWLPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UUEMHYJUQLXVQF-BEHIWLPRSA-N

(Q105279272)

(Z)-5-[(1R,4aS,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-7-oxo-4,4a,6,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal

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