(Q105181749)

English

[(3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-(Hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,4R,6Z,10E,11aR)-3a,4,5,8,9,11a-Hexahydro-4-(tiglyloxy)-6-(hydroxymethyl)-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Grazielia intermedia

1 reference

stated in

Germacranolides, a guaianolide with a β-lactone ring and further constituents from Grazielia species

Identifiers

InChI

InChI=1S/C20H26O5/c1-5-13(3)19(22)24-17-10-15(11-21)8-6-7-12(2)9-16-18(17)14(4)20(23)25-16/h5,8-9,16-18,21H,4,6-7,10-11H2,1-3H3/b12-9+,13-5-,15-8-/t16-,17-,18+/m1/s1

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InChIKey

NMFLQFIFJRTHHO-SZWMTJTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NMFLQFIFJRTHHO-SZWMTJTOSA-N

(Q105181749)

[(3aR,4R,6Z,10E,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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