(Q105152526)

English

(2R)-5-hydroxy-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromene-6-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-Hydroxy-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-(4-methylpenta-1,3-dienyl)-3,4-dihydrochromene-6-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

370.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₄

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canonical SMILES

O=C(O)C=1C(O)=C2C(OC(C=CC=C(C)C)(C)CC2)=C(C1C)CC=C(C)C

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isomeric SMILES

CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O)c(C)c(CC=C(C)C)c2O1

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found in taxon

Peperomia obtusifolia

2 references

stated in

Absolute configuration reassignment of two chromanes from Peperomia obtusifolia (Piperaceae) using VCD and DFT calculations

stated in

Absolute configuration reassignment of two chromanes from Peperomia obtusifolia (Piperaceae) using VCD and DFT calculations

Identifiers

InChI

InChI=1S/C23H30O4/c1-14(2)8-7-12-23(6)13-11-18-20(24)19(22(25)26)16(5)17(21(18)27-23)10-9-15(3)4/h7-9,12,24H,10-11,13H2,1-6H3,(H,25,26)/b12-7+/t23-/m0/s1

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InChIKey

LJFBYGPHKHZLQD-LZMFZKJZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LJFBYGPHKHZLQD-LZMFZKJZSA-N

1 reference

(Q105152526)

(2R)-5-hydroxy-2,7-dimethyl-8-(3-methylbut-2-enyl)-2-[(1E)-4-methylpenta-1,3-dienyl]-3,4-dihydrochromene-6-carboxylic acid

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