(Q104955586)

English

[(1S,2S,7S,9R,10S,12R)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-Hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

304.13107374 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R)-3,6bbeta-Dimethyl-4alpha-acetoxy-5-methylene-7aalpha-hydroxy-2,4,4aalpha,5,5aalpha,6,6aalpha,6b,7,7a-decahydrocyclopropa[2,3]indeno[5,6-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

(1S,2R,7S,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0³,⁷.0¹⁰,¹²]tridec-3-en-2-yl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₅

0 references

canonical SMILES

O=C1OC2(O)C(=C1C)C(OC(=O)C)C3C(=C)C4CC4C3(C)C2

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isomeric SMILES

C=C1[C@@H]2C[C@@H]2[C@@]2(C)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OC(C)=O)[C@@H]12

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found in taxon

Lindera aggregata

1 reference

stated in

Sesquiterpenoids from the root tubers of Lindera aggregata

Identifiers

InChI

InChI=1S/C17H20O5/c1-7-10-5-11(10)16(4)6-17(20)13(8(2)15(19)22-17)14(12(7)16)21-9(3)18/h10-12,14,20H,1,5-6H2,2-4H3/t10-,11-,12+,14-,16+,17-/m0/s1

0 references

InChIKey

CEEKQDNVMHWRJZ-OICRXNDXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CEEKQDNVMHWRJZ-OICRXNDXSA-N

(Q104955586)

[(1S,2S,7S,9R,10S,12R)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-2-yl] acetate

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Identifiers

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