(Q105228365)

English

[(3aR,4S,6S,9S,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

chemical compound

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type of chemical entity

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subclass of

(6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

1 reference

inferred from InChIKey

[(3aR,4R,6R,9R,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6R,9R,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6R,7Z,9R,10Z,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4R,6R,7Z,9S,10Z,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

(3aR,4S,6S,9S,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate

1 reference

1 reference

[(3aS,4R,6R,7E,9S,10Z,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4R,6R,7Z,9R,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC1CC(O)(C=CC(O)C(=CC2OC(=O)C(=C)C21)C)C)C(=CC)C

0 references

isomeric SMILES

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

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found in taxon

Tithonia fruticosa

1 reference

stated in

trans-1,2-cis-4,5-Germacradienolide and other new germacranolides from Tithonia species

Identifiers

InChI

InChI=1S/C20H26O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6-9,14-17,21,24H,4,10H2,1-3,5H3/t14-,15-,16-,17-,20+/m0/s1

0 references

InChIKey

QUQPZVOBOIBITF-DRCYAFTPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QUQPZVOBOIBITF-DRCYAFTPSA-N

(Q105228365)

[(3aR,4S,6S,9S,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

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