(Q105136577)

English

(1S,4aR,5S,8aR)-5-(3-carboxybut-2-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-(3-carboxybut-2-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

320.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4aR,5S,8aR)-5-[(E)-3-carboxybut-2-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,4aR,5S,8aR)-5-[(E)-3-carboxybut-2-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

chemical formula

C₁₉H₂₈O₄

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC=C(C)C(=O)O

0 references

found in taxon

Pinus luchuensis

1 reference

stated in

Potential antitumor-promoting diterpenes from the cones of Pinus luchuensis

Identifiers

InChI

InChI=1S/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/t14-,15+,18+,19-/m0/s1

0 references

InChIKey

JXHQWTYFUSHCGX-SFUIVIKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXHQWTYFUSHCGX-SFUIVIKGSA-N

(Q105136577)

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

Statements

Identifiers

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