(Q104933798)

English

(E)-4-[(1S,3R,4S,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]but-3-en-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

megastigmane

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mass

534.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₁₃

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canonical SMILES

O=C(C=CC12OC(CC1(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C)C(O)C2(C)C)C

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isomeric SMILES

CC(=O)/C=C/[C@@]12O[C@@H](C[C@]1(C)O[C@@H]1O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C2(C)C

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found in taxon

Miliusa balansae

1 reference

stated in

Chemical constituents of Miliusa balansae leaves and inhibition of nitric oxide production in lipopolysaccharide-induced RAW 264.7 cells

Identifiers

InChI

InChI=1S/C24H38O13/c1-11(26)5-6-24-21(2,3)17(30)12(36-24)7-22(24,4)37-19-16(29)15(28)14(27)13(35-19)8-33-20-18(31)23(32,9-25)10-34-20/h5-6,12-20,25,27-32H,7-10H2,1-4H3/b6-5+/t12-,13+,14+,15-,16+,17-,18-,19-,20+,22-,23+,24-/m0/s1

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InChIKey

BEZDWFCNONZRCV-LKCNFKDSSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104933798)

(E)-4-[(1S,3R,4S,6S)-6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]but-3-en-2-one

Statements

Identifiers

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