(Q105304234)

English

(1S,2R,4aR,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1-(5-Hydroxy-3-methylpent-3-enyl)-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

1 reference

C₂₀H₃₂O₃

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canonical SMILES

O=C(O)C1CCC2(C(=CCCC2C1(C)CCC(=CCO)C)C)C

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isomeric SMILES

CC1=CCC[C@@H]2[C@](C)(CC/C(C)=C/CO)[C@H](C(=O)O)CC[C@@]12C

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found in taxon

Baccharis salicifolia

1 reference

stated in

Diterpene glycosides and other constituents from argentinian baccharis species

Jungermannia infusca

1 reference

stated in

Diterpenoids from the japanese liverwort jungermannia INFUSCA fn1 fn1This paper is dedicated, with best wishes, to Professor G. H. Neil Towers on the occasion of his 75th birthday. in honour of professor G. H. Neil Towers 75TH birthday

Identifiers

InChI

InChI=1S/C20H32O3/c1-14(10-13-21)8-11-20(4)16(18(22)23)9-12-19(3)15(2)6-5-7-17(19)20/h6,10,16-17,21H,5,7-9,11-13H2,1-4H3,(H,22,23)/b14-10+/t16-,17-,19-,20+/m0/s1

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InChIKey

WFWZEVUAJFNRMA-OMXBKVJCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WFWZEVUAJFNRMA-OMXBKVJCSA-N

(Q105304234)

(1S,2R,4aR,8aR)-1-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-2-carboxylic acid

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