(Q105178211)

English

4-[2-[(2S,4R,4aR,5R,7S,8aS)-5-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[2-(4-hydroxyphenyl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-2-yl]ethyl]phenol

chemical compound

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instance of

type of chemical entity

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subclass of

4-[2-[5-(4-Hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-7-[2-(4-hydroxyphenyl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-2-yl]ethyl]phenol

1 reference

based on heuristic

inferred from SMILES

mass

592.282489 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₀O₆

0 references

canonical SMILES

OC1=CC=C(C=C1)C=CC2CC(OC3CC(OC(C4=CC=C(O)C=C4)C32)CCC5=CC=C(O)C=C5)CCC6=CC=C(O)C=C6

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isomeric SMILES

Oc1ccc(/C=C/[C@H]2C[C@H](CCc3ccc(O)cc3)O[C@H]3C[C@H](CCc4ccc(O)cc4)O[C@@H](c4ccc(O)cc4)[C@@H]32)cc1

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found in taxon

Alpinia blepharocalyx

1 reference

stated in

Six new diarylheptanoids from the seeds of Alpinia blepharocalyx

Alpinia roxburghii

1 reference

stated in

Six new diarylheptanoids from the seeds of Alpinia blepharocalyx

Identifiers

InChI

InChI=1S/C38H40O6/c39-30-13-2-25(3-14-30)1-10-29-23-34(21-8-26-4-15-31(40)16-5-26)43-36-24-35(22-9-27-6-17-32(41)18-7-27)44-38(37(29)36)28-11-19-33(42)20-12-28/h1-7,10-20,29,34-42H,8-9,21-24H2/b10-1+/t29-,34-,35-,36-,37+,38-/m0/s1

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InChIKey

NEVDYTIAHUSATO-GWTRKZTISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NEVDYTIAHUSATO-GWTRKZTISA-N

(Q105178211)

4-[2-[(2S,4R,4aR,5R,7S,8aS)-5-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[2-(4-hydroxyphenyl)ethyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-2-yl]ethyl]phenol

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