(Q104970094)

English

[(3aS,4S,6E,8S,10E,11aR)-6-formyl-8-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-Formyl-8-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

320.12598836 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₀O₆

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canonical SMILES

O=CC1=CC(O)CC(=CC2OC(=O)C(=C)C2C(OC(=O)C)C1)C

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isomeric SMILES

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

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found in taxon

Mikania congesta

1 reference

stated in

Diterpenes and sesquiterpene lactones from Mikania congesta

Identifiers

InChI

InChI=1S/C17H20O6/c1-9-4-13(20)6-12(8-18)7-15(22-11(3)19)16-10(2)17(21)23-14(16)5-9/h5-6,8,13-16,20H,2,4,7H2,1,3H3/b9-5+,12-6+/t13-,14+,15-,16+/m0/s1

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InChIKey

CTVPLMAZKHJHEI-GFPPDGNESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CTVPLMAZKHJHEI-GFPPDGNESA-N

(Q104970094)

[(3aS,4S,6E,8S,10E,11aR)-6-formyl-8-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] acetate

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Identifiers

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