(Q105002472)

English

(3aS,7S,8aS)-6-[(1R)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-Methylene-6-(1-hydroxy-3-oxobutyl)-7-methyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

(3aR,7S,8aR)-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylidene-3aH,4H,7H,8H,8aH-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

264.13615912 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,7S,8aS)-6-[(1R)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,7S,8aR)-6-[(1R)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,7S,8aR)-6-[(1R)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

(3aR,7S,8aR)-6-[(1S)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₄

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Telekia speciosa

1 reference

stated in

Further eudesmanolides and xanthanolides from Telekia speciosa

Identifiers

InChI

InChI=1S/C15H20O4/c1-8-6-14-12(10(3)15(18)19-14)5-4-11(8)13(17)7-9(2)16/h4,8,12-14,17H,3,5-7H2,1-2H3/t8-,12-,13+,14-/m0/s1

0 references

InChIKey

FVJAKCWZKUQZHO-IOEYQFCTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FVJAKCWZKUQZHO-IOEYQFCTSA-N

(Q105002472)

(3aS,7S,8aS)-6-[(1R)-1-hydroxy-3-oxobutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

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