(Q105177069)

English

[(3aS,4S,6R,10S,11aR)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

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mass

406.1991533 dalton

1 reference

1 reference

C₂₂H₃₀O₇

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canonical SMILES

O=C(OC1CC(OC(=O)C)(C(=O)CCC(C)CC2OC(=O)C(=C)C21)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Piptocoma rufescens

1 reference

stated in

Cytotoxic and NF-κB inhibitory sesquiterpene lactones from Piptocoma rufescens.

Piptocoma antillana

1 reference

stated in

Cytotoxic and NF-κB inhibitory sesquiterpene lactones from Piptocoma rufescens.

Identifiers

InChI

InChI=1S/C22H30O7/c1-7-13(3)20(25)28-17-11-22(6,29-15(5)23)18(24)9-8-12(2)10-16-19(17)14(4)21(26)27-16/h7,12,16-17,19H,4,8-11H2,1-3,5-6H3/t12-,16+,17-,19-,22+/m0/s1

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InChIKey

NBYCCWHAEXKHLK-CYKDPCSZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NBYCCWHAEXKHLK-CYKDPCSZSA-N

(Q105177069)

[(3aS,4S,6R,10S,11aR)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

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Identifiers

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