(Q105128150)

English

(1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3-oxo-2,4,5,7,8,8a-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

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C(O)C1(C)CC(=O)CC2(C)C(C(=C)CCC12)CC=C(C=C)C

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isomeric SMILES

C=C/C(C)=C\C[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CC(=O)C[C@]21C

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found in taxon

Ichthyothere terminalis

1 reference

stated in

New melampolides, kaurene derivatives and other constituents from Ichthyothere species

Identifiers

InChI

InChI=1S/C20H28O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,16-17H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7-/t16-,17+,19+,20+/m1/s1

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InChIKey

JHPRIWZCNRYXGI-BCLYJQJYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHPRIWZCNRYXGI-BCLYJQJYSA-N

(Q105128150)

(1S,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(2Z)-3-methylpenta-2,4-dienyl]-3-oxo-2,4,5,7,8,8a-hexahydronaphthalene-1-carboxylic acid

Statements

Identifiers

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