(Q105242398)

English

4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

labdanes

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mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C(=O)CCC23C)(C)CO

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O

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found in taxon

Andrographis paniculata

1 reference

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-16,21H,1,4-8,10-12H2,2-3H3/t15-,16+,19+,20+/m1/s1

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InChIKey

ROPZFDGMJDAXOR-LPWQTFTOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROPZFDGMJDAXOR-LPWQTFTOSA-N

1 reference

(Q105242398)

4-[2-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one

Statements

Identifiers

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