(Q105136064)

English

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

group of stereoisomers with the chemical formula C₁₅H₂₂O₃

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₃

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canonical SMILES

O=C1OC2C3C(=C)CCC(O)C3(C)CCC2C1C

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isomeric SMILES

C=C1CC[C@@H](O)[C@]2(C)CCC3[C@H](C)C(=O)O[C@@H]3[C@@H]12

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Identifiers

InChI

InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-13,16H,1,4-7H2,2-3H3/t9-,10?,11+,12+,13-,15-/m0/s1

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InChIKey

JWBPWNWPEVPCMJ-XJQHZFAKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JWBPWNWPEVPCMJ-XJQHZFAKSA-N

(Q105136064)

(3S,5aR,6R,9aS,9bS)-6-hydroxy-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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