(Q105140843)

English

(1R,2R,4aR,5S,8aR)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-(3-oxobutyl)-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

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

1 reference

based on heuristic

inferred from SMILES

mass

308.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₂₈O₄

0 references

canonical SMILES

O=C(O)C1(C)C(O)CCC2(C)C(C(=C)CCC12)CCC(=O)C

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isomeric SMILES

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

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found in taxon

Juniperus thurifera

1 reference

stated in

Labdane acids from polar extracts of Juniperus thurifera

Identifiers

InChI

InChI=1S/C18H28O4/c1-11-5-8-14-17(3,13(11)7-6-12(2)19)10-9-15(20)18(14,4)16(21)22/h13-15,20H,1,5-10H2,2-4H3,(H,21,22)/t13-,14+,15+,17+,18+/m0/s1

0 references

InChIKey

KGMMKUZTYZGQQY-DBXHJTGRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGMMKUZTYZGQQY-DBXHJTGRSA-N

(Q105140843)

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

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Identifiers

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