(Q104935655)

English

[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3aH,4H,5H,10H,11H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

408.178417856 dalton

1 reference

1 reference

C₂₁H₂₈O₈

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canonical SMILES

O=C1OC2CC(C=CC(=O)C(O)(C)C(OC(=O)C)C(OC(=O)C(C)C)C2C1=C)C

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isomeric SMILES

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

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found in taxon

Neurolaena oaxacana

1 reference

stated in

Sesquiterpene lactones from neurolaena oaxacana

Identifiers

InChI

InChI=1S/C21H28O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7-8,10-11,14,16-18,26H,4,9H2,1-3,5-6H3/b8-7-/t11-,14+,16+,17-,18+,21-/m0/s1

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InChIKey

BGNYEVHTEQZTRS-SZWSCDJLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGNYEVHTEQZTRS-SZWSCDJLSA-N

(Q104935655)

[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate

Statements

Identifiers

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