(Q105266537)

English

(1R,5S,6R,7S)-7-(1,3-benzodioxol-5-yl)-3,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one

group of stereoisomers with the chemical formula C₂₀H₂₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

358.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₆

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canonical SMILES

O=C1C(O)=CC2(CC=C)C(O)C1(OC)C(C3=CC=C4OCOC4=C3)C2C

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isomeric SMILES

C=CC[C@]12C=C(O)C(=O)[C@](OC)(C1O)[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

Identifiers

InChI

InChI=1S/C20H22O6/c1-4-7-19-9-13(21)17(22)20(24-3,18(19)23)16(11(19)2)12-5-6-14-15(8-12)26-10-25-14/h4-6,8-9,11,16,18,21,23H,1,7,10H2,2-3H3/t11-,16+,18?,19-,20+/m1/s1

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InChIKey

TXEDTYYHGZODBU-CAPWSWEQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXEDTYYHGZODBU-CAPWSWEQSA-N

(Q105266537)

(1R,5S,6R,7S)-7-(1,3-benzodioxol-5-yl)-3,8-dihydroxy-1-methoxy-6-methyl-5-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one

Statements

Identifiers

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