(Q104953542)

English

(3S,3aR,4S,5aR,6R,9aR,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(3S,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3aR,4R,5aR,6R,9aS,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₅H₂₂O₄

0 references

canonical SMILES

O=C1OC2C3C(=C)CCC(O)C3(C)CC(O)C2C1C

0 references

isomeric SMILES

C=C1CC[C@@H](O)[C@]2(C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12

0 references

found in taxon

Artemisia herba-alba

1 reference

stated in

Sesquiterpene lactones from Artemisia herba-alba subsp. Herba-alba

Identifiers

InChI

InChI=1S/C15H22O4/c1-7-4-5-10(17)15(3)6-9(16)11-8(2)14(18)19-13(11)12(7)15/h8-13,16-17H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12-,13-,15-/m0/s1

0 references

InChIKey

CCOGMNXJHQYPKW-LKLBULIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCOGMNXJHQYPKW-LKLBULIISA-N

(Q104953542)

(3S,3aR,4S,5aR,6R,9aR,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one

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Identifiers

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