(Q105280775)

English

(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

chemical compound

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instance of

type of chemical entity

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subclass of

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,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

(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

(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

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,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

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

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isomeric SMILES

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

0 references

found in taxon

Pluchea dioscoridis

3 references

stated in

7-Epi-eudesmanes, eudesmanoic acids, eudesmanolides and other sesquiterpenes from Pluchea dioscoridis

stated in

Eudesmanolides from Pluchea dioscoridis

stated in

7-Epi-eudesmanes, eudesmanoic acids, eudesmanolides and other sesquiterpenes 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-VUZIRADBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXGHAQBYGNOSGC-VUZIRADBSA-N

(Q105280775)

(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

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Identifiers

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