(Q105378385)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(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-(hydroxymethyl)-3-methyloxirane-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-(hydroxymethyl)-3-methyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C1OC2C=C(C)CC(O)C=C(C)CC(OC(=O)C3(OC3C)CO)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(CO)O[C@@H]3C)[C@@H]12

0 references

found in taxon

Eupatorium mikanioides

1 reference

stated in

A thiol-containing ester side chain in a sesquiterpene lactone from Eupatorium mikanioides. Absolute configuration of deacetyleupaserrin and its congeners

Identifiers

InChI

InChI=1S/C20H26O7/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)25-15(17)7-10)26-19(24)20(9-21)13(4)27-20/h6-7,13-17,21-22H,3,5,8-9H2,1-2,4H3/b10-7-,11-6-/t13-,14+,15-,16-,17+,20-/m1/s1

0 references

InChIKey

ZKDMWKFVIHFIKW-LTPMKRLLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZKDMWKFVIHFIKW-LTPMKRLLSA-N

(Q105378385)

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

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