(Q105194299)

English

(3aS,4S,5R,6E,10E)-3abeta,4,5,8,9,11aalpha-Hexahydro-3-methylene-6,10-dimethyl-5-hydroxy-4-[(Z)-2-methyl-2-butenoyloxy]cyclodeca[b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from InChIKey

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1C(O)C(=CCCC(=CC2OC(=O)C(=C)C21)C)C)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[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/c1-6-12(3)19(22)25-18-16-14(5)20(23)24-15(16)10-11(2)8-7-9-13(4)17(18)21/h6,9-10,15-18,21H,5,7-8H2,1-4H3/b11-10+,12-6-,13-9+/t15-,16+,17-,18+/m1/s1

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InChIKey

OMDUJIAGTIZPFC-GVKNYFTLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMDUJIAGTIZPFC-GVKNYFTLSA-N

1 reference

(Q105194299)

(3aS,4S,5R,6E,10E)-3abeta,4,5,8,9,11aalpha-Hexahydro-3-methylene-6,10-dimethyl-5-hydroxy-4-[(Z)-2-methyl-2-butenoyloxy]cyclodeca[b]furan-2(3H)-one

Statements

Identifiers

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