(Q105112280)

English

2-[(3R)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

chemical compound

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instance of

type of chemical entity

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subclass of

2-(3-hydroxybutyl)-1-methylanthracene-9,10-dione

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based on heuristic

inferred from SMILES

mass

294.125594436 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

2-[(3S)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

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based on heuristic

inferred from InChI

chemical formula

C₁₉H₁₈O₃

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canonical SMILES

O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C(C3C)CCC(O)C

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isomeric SMILES

Cc1c(CC[C@@H](C)O)ccc2c1C(=O)c1ccccc1C2=O

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found in taxon

Stereospermum acuminatissimum

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stated in

Phenol esters and other constituents from the stem barks of Stereospermum acuminatissimum

Identifiers

InChI

InChI=1S/C19H18O3/c1-11(20)7-8-13-9-10-16-17(12(13)2)19(22)15-6-4-3-5-14(15)18(16)21/h3-6,9-11,20H,7-8H2,1-2H3/t11-/m1/s1

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InChIKey

IFOVHKGWNIARGG-LLVKDONJSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IFOVHKGWNIARGG-LLVKDONJSA-N

1 reference

(Q105112280)

2-[(3R)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

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