(Q105146560)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

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canonical SMILES

O=C1OC2C=C(C)CCC=C(C)CC(OC(=O)C(O)(C)C(O)C)C2C1=C

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isomeric SMILES

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

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found in taxon

Ursinia anthemoides

1 reference

stated in

Minor sesquiterpenic lactones from Ursinia anthemoides (L.) POIRET

Ursinia cakilefolia

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C20H28O6/c1-11-7-6-8-12(2)10-16(26-19(23)20(5,24)14(4)21)17-13(3)18(22)25-15(17)9-11/h8-9,14-17,21,24H,3,6-7,10H2,1-2,4-5H3/b11-9+,12-8+/t14-,15-,16+,17-,20-/m0/s1

0 references

InChIKey

KVJTZBSGBYRUOR-CYBHVJCNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVJTZBSGBYRUOR-CYBHVJCNSA-N

(Q105146560)

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

Statements

Identifiers

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