(Q105280772)

English

(3aS,5R,5aR,6S,9aS,9bS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

(5R,5aS,6R,9aS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

(5R,5aR,6R,9aS,9bS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

(5R,5aS,6S,9aS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,5R,5aS,6S,9aS,9bS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,5R,5aR,6R,9aS,9bS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

O=C1OC2C(C1=C)CC(O)C3(C)C(O)CC=C(C)C23

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@]1(C)[C@@H](O)CC=C(C)[C@H]21

0 references

found in taxon

Pluchea dioscoridis

1 reference

stated in

New .ALPHA.-cyclocostunolide and isocostic acid derivatives from Pluchea dioscoridis.

Identifiers

InChI

InChI=1S/C15H20O4/c1-7-4-5-10(16)15(3)11(17)6-9-8(2)14(18)19-13(9)12(7)15/h4,9-13,16-17H,2,5-6H2,1,3H3/t9-,10-,11+,12+,13-,15+/m0/s1

0 references

InChIKey

UXGHAQBYGNOSGC-JSXSYOHWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXGHAQBYGNOSGC-JSXSYOHWSA-N

(Q105280772)

(3aS,5R,5aR,6S,9aS,9bS)-5,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one

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