(Q105230026)

English

(1S,4aR,5R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-(4-carboxy-3-methylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4aS,5S,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(1R,4aS,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

1 reference

1 reference

C₂₀H₃₀O₄

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canonical SMILES

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

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isomeric SMILES

C=C1CC[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

Hymenaea oblongifolia

1 reference

stated in

Resin acids from two amazonian species of Hymenaea

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/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19-,20+/m1/s1

0 references

InChIKey

QYCOHMYDSOZCQD-LPBHZFOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QYCOHMYDSOZCQD-LPBHZFOASA-N

(Q105230026)

(1S,4aR,5R,8aS)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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