(Q105138952)

English

Oxiranecarboxylic acid, 2,3-dimethyl-, (3aR,4R,6E,8S,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2R,3R)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

(8-Hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6E,8S,10E,11aS)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChIKey

oxyline

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C1OC2C=C(C)CC(O)C=C(C)CC(OC(=O)C3(OC3C)C)C2C1=C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12

0 references

found in taxon

Helianthus gracilentus

1 reference

stated in

Sesquiterpene lactones of Helianthus gracilentus

Helianthus maximiliani

2 references

stated in

Further sesquiterpene lactones from Helianthus maximiliani

stated in

Sesquiterpene lactones of one chemical race of Helianthus maximiliani

Identifiers

InChI

InChI=1S/C20H26O6/c1-10-6-14(21)7-11(2)9-16(25-19(23)20(5)13(4)26-20)17-12(3)18(22)24-15(17)8-10/h7-8,13-17,21H,3,6,9H2,1-2,4-5H3/b10-8+,11-7+/t13-,14+,15-,16-,17+,20-/m1/s1

0 references

InChIKey

KCUQHLKAVMLGGV-NILYGNOYSA-N

0 references

CAS Registry Number

72229-34-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCUQHLKAVMLGGV-NILYGNOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KCUQHLKAVMLGGV-NILYGNOYSA-N

(Q105138952)

Oxiranecarboxylic acid, 2,3-dimethyl-, (3aR,4R,6E,8S,10E,11aR)-2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester, (2R,3R)-

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Identifiers

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