(Q105279762)

English

(1R,4aR,5S,8aS)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

0 references

subclass of

labdanes

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mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C(O)C=C(C)CCC1C(=CCC2C(C(=O)O)(C)CCCC12C)C

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isomeric SMILES

CC1=CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C\C(=O)O

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found in taxon

Baccharis tucumanensis

1 reference

stated in

Batudioic acid and flavonoids from Baccharis tucumanensis

Identifiers

InChI

InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h7,12,15-16H,5-6,8-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12-/t15-,16-,19+,20+/m0/s1

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InChIKey

UVDGMDXWVQHKDO-SGPNTULSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVDGMDXWVQHKDO-SGPNTULSSA-N

(Q105279762)

(1R,4aR,5S,8aS)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a,6-trimethyl-2,3,4,5,8,8a-hexahydronaphthalene-1-carboxylic acid

Statements

Identifiers

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