(Q105130234)

English

[1-[(3aR,7S,8aR)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxybutyl] acetate

group of stereoisomers with the chemical formula C₁₇H₂₄O₅

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Statements

group of stereoisomers

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xanthane sesquiterpenoid

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xanthane sesquiterpenoid

308.16237386800003 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₄O₅

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canonical SMILES

O=C1OC2CC(C(=CCC2C1=C)C(OC(=O)C)CC(O)C)C

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isomeric SMILES

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

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Identifiers

InChI=1S/C17H24O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9-10,14-16,18H,3,6-8H2,1-2,4H3/t9-,10?,14+,15+,16?/m0/s1

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JKIKMDJRHDXNEW-CQQGCWLISA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKIKMDJRHDXNEW-CQQGCWLISA-N

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