(Q104945000)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Montanoa hibiscifolia

1 reference

stated in

trans,trans-Germacra-1(10),4-dien-cis-6,12-olides from Montanoa hibiscifolia

Identifiers

InChI

InChI=1S/C20H26O6/c1-10-7-6-8-11(2)17(25-19(23)20(5)13(4)26-20)16(21)15-12(3)18(22)24-14(15)9-10/h8-9,13-17,21H,3,6-7H2,1-2,4-5H3/b10-9-,11-8-/t13-,14-,15+,16-,17-,20-/m1/s1

0 references

InChIKey

BRTAZWLJPFLZAV-JLLUAEJASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104945000)

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

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