(Q105324827)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

1 reference

C₂₂H₂₈O₇

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Ursinia anthemoides

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stated in

Minor sesquiterpenic lactones from Ursinia anthemoides (L.) POIRET

Ursinia cakilefolia

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stated in

Sesquiterpene lactones and other constituents from Ursinia species

Ursinia speciosa

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17+,18-,19+,22-/m0/s1

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InChIKey

XBYFQUZGOAYUQG-HITZDYFOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBYFQUZGOAYUQG-HITZDYFOSA-N

(Q105324827)

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

Statements

Identifiers

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