(Q105208390)

English

[(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic coumarin

0 references

mass

444.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₆

0 references

canonical SMILES

O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC(=O)C(C)CCCCCCCC)C(O)C(=C)C

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isomeric SMILES

C=C(C)[C@H](O)[C@@H](OC(=O)[C@H](C)CCCCCCCC)c1c(OC)ccc2ccc(=O)oc12

0 references

found in taxon

Murraya paniculata

1 reference

stated in

Paniculacin, a new coumarin derivative from Murraya paniculata

Identifiers

InChI

InChI=1S/C26H36O6/c1-6-7-8-9-10-11-12-18(4)26(29)32-25(23(28)17(2)3)22-20(30-5)15-13-19-14-16-21(27)31-24(19)22/h13-16,18,23,25,28H,2,6-12H2,1,3-5H3/t18-,23+,25+/m1/s1

0 references

InChIKey

PGHGJPPSTUHNRC-DPQOWFAMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PGHGJPPSTUHNRC-DPQOWFAMSA-N

(Q105208390)

[(1S,2S)-2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] (2R)-2-methyldecanoate

Statements

Identifiers

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