(Q104921100)

English

[(3S,5R)-5-acetyloxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

1-(3,4-Dihydroxyphenyl)-7-(3-methoxy-4-hydroxyphenyl)-3,5-diacetoxyheptane

1 reference

based on heuristic

inferred from SMILES

mass

446.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₀O₈

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canonical SMILES

O=C(OC(CCC1=CC=C(O)C(O)=C1)CC(OC(=O)C)CCC2=CC=C(O)C(OC)=C2)C

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isomeric SMILES

COc1cc(CC[C@H](C[C@H](CCc2ccc(O)c(O)c2)OC(C)=O)OC(C)=O)ccc1O

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found in taxon

Zingiber officinale

1 reference

stated in

Diarylheptanoids from rhizomes ofZingiber officinale

Identifiers

InChI

InChI=1S/C24H30O8/c1-15(25)31-19(8-4-17-6-10-21(27)23(29)12-17)14-20(32-16(2)26)9-5-18-7-11-22(28)24(13-18)30-3/h6-7,10-13,19-20,27-29H,4-5,8-9,14H2,1-3H3/t19-,20+/m0/s1

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InChIKey

AYGREUDCTXEMIK-VQTJNVASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AYGREUDCTXEMIK-VQTJNVASSA-N

(Q104921100)

[(3S,5R)-5-acetyloxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate

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Identifiers

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