(Q105209308)

English

2-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

234.161979944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-[(2R,4aR,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₂

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canonical SMILES

O=C(O)C(=C)C1C=C2C(C)CCCC2(C)CC1

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isomeric SMILES

C=C(C(=O)O)[C@@H]1C=C2[C@H](C)CCC[C@@]2(C)CC1

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found in taxon

Laggera pterodonta

2 references

stated in

Eudesmane sesquiterpenes from Laggera pterodonta

stated in

Eudesmane derivatives from Laggera pterodonta

Laggera crispata

2 references

stated in

Eudesmane sesquiterpenes from Laggera pterodonta

stated in

Eudesmane derivatives from Laggera pterodonta

Identifiers

InChI

InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h9-10,12H,2,4-8H2,1,3H3,(H,16,17)/t10-,12+,15+/m1/s1

0 references

InChIKey

PHYJIMYAZBSQFJ-GMXABZIVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PHYJIMYAZBSQFJ-GMXABZIVSA-N

1 reference

(Q105209308)

2-[(2S,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

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Identifiers

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