(Q104958978)

English

(3aS,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

group of stereoisomers with the chemical formula C₁₅H₂₀O₃

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Statements

instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

1 reference

inferred from

germacrane sesquiterpenoid

mass

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀O₃

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canonical SMILES

O=C1OC2C=C(C)CCC=C(C)C(O)CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C(O)C[C@@H]12

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found in taxon

Pluchea dioscoridis

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stated in

Eudesmanolides from Pluchea dioscoridis

Identifiers

InChI

InChI=1S/C15H20O3/c1-9-5-4-6-10(2)13(16)8-12-11(3)15(17)18-14(12)7-9/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13?,14+/m0/s1

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InChIKey

CHKPFVHCBRAVJP-QUIRBFQOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CHKPFVHCBRAVJP-QUIRBFQOSA-N

(Q104958978)

(3aS,6E,10E,11aR)-5-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Statements

Identifiers

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