(Q104971413)

English

[(1S,2R,5R,6S,7R)-8-acetyloxy-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

group of stereoisomers with the chemical formula C₂₅H₃₀O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

458.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₈

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canonical SMILES

O=C(OC1C(OC)=CC2(CC=C)C(OC(=O)C)C1(OC)C(C3=CC=C4OCOC4=C3)C2C)C

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isomeric SMILES

C=CC[C@@]12C=C(OC)[C@@H](OC(C)=O)[C@@](OC)(C1OC(C)=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C

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found in taxon

Ocotea catharinensis

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stated in

Neolignans from Ocotea catharinensis

stated in

Neolignans from Ocotea catharinensis

Identifiers

InChI

InChI=1S/C25H30O8/c1-7-10-24-12-20(28-5)22(32-15(3)26)25(29-6,23(24)33-16(4)27)21(14(24)2)17-8-9-18-19(11-17)31-13-30-18/h7-9,11-12,14,21-23H,1,10,13H2,2-6H3/t14-,21+,22+,23?,24-,25+/m0/s1

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InChIKey

CWNJRIFALHNITA-JROHWPLKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWNJRIFALHNITA-JROHWPLKSA-N

(Q104971413)

[(1S,2R,5R,6S,7R)-8-acetyloxy-7-(1,3-benzodioxol-5-yl)-1,3-dimethoxy-6-methyl-5-prop-2-enyl-2-bicyclo[3.2.1]oct-3-enyl] acetate

Statements

Identifiers

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