(Q105031830)

English

(1R,4aR,5S,8aS)-5-[(3S)-4-carboxy-3-methylbutyl]-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

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

1 reference

1 reference

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aR,5S,8aS)-5-[(3S)-4-carboxy-3-methylbutyl]-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

1 reference

1 reference

1 reference

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

O=C(O)CC(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@H](C)CC(=O)O

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found in taxon

Copaifera paupera

1 reference

stated in

Antimicrobial terpenoids from the oleoresin of the Peruvian medicinal plant Copaifera paupera

Identifiers

InChI

InChI=1S/C20H32O4/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/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13-,15-,16-,19+,20+/m0/s1

0 references

InChIKey

HPQKNJHVWUWAOR-LBBLDFNBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HPQKNJHVWUWAOR-LBBLDFNBSA-N

1 reference

(Q105031830)

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

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