(Q105300002)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

0 references

canonical SMILES

O=C1OCC=C1C=CC2C(=C)CCC3C(C(=O)CCC23C)(C)CO

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isomeric SMILES

C=C1CC[C@@H]2[C@](C)(CO)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O

0 references

found in taxon

Andrographis paniculata

1 reference

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

Identifiers

InChI

InChI=1S/C20H26O4/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/h5-6,9,15-16,21H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,19+,20+/m1/s1

0 references

InChIKey

VZUQDSZLBXYRHS-WHCBKWPTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VZUQDSZLBXYRHS-WHCBKWPTSA-N

1 reference

(Q105300002)

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

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Identifiers

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