(-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol (Q27136101)

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chemical compound

Language	Label	Description	Also known as
English	(-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol	chemical compound

Statements

type of chemical entity

0 references

2-[4-[3-(4-Hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(3-hydroxy-2-methoxyphenyl)propane-1,3-diol

1 reference

based on heuristic

inferred from InChIKey

614.236327±0 dalton

1 reference

language of work or name

CHEBI:67633 (English)

7 October 2016

stereoisomer of

(-)-(7R,7'R,7''S,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈O₁₂

1 reference

language of work or name

CHEBI:67633 (English)

7 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC(CO)C(C5=C(C(=CC=C5)O)OC)O)OC

1 reference

language of work or name

CHEBI:67633 (English)

7 October 2016

isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC(=C(C(=C4)OC)O[C@@H](CO)[C@@H](C5=C(C(=CC=C5)O)OC)O)OC

1 reference

language of work or name

CHEBI:67633 (English)

7 October 2016

Identifiers

InChI=1S/C32H38O12/c1-37-22-9-16(10-23(38-2)28(22)36)29-19-14-43-30(20(19)15-42-29)17-11-24(39-3)32(25(12-17)40-4)44-26(13-33)27(35)18-7-6-8-21(34)31(18)41-5/h6-12,19-20,26-27,29-30,33-36H,13-15H2,1-5H3/t19-,20-,26+,27-,29+,30+/m1/s1

1 reference

language of work or name

CHEBI:67633 (English)

7 October 2016

GXFLHQASUNLZNY-QZSXCKCASA-N

2 references

language of work or name

CHEBI:67633 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(1R,2S)-2-{4-[(1R,3aS,4R,6aS)-4-(4-Hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1-(3-hydroxy-2-methoxyphenyl)-1,3-propanediol (English)

7 October 2016

2 references

language of work or name

CHEBI:67633 (English)

7 October 2016

matched by identifier from

GXFLHQASUNLZNY-QZSXCKCASA-N

mapping relation type

2 references

language of work or name

(-)-(7R,7'R,7''R,8S,8'S,8''S)-4',4''-dihydroxy-3,3',3'',5,5'-pentamethoxy-7,9':7',9-diepoxy-4,8''-oxy-8,8'-sesquineolignan-7'',9''-diol (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C32H38O12/c1-37-22-9-16(10-23(38-2)28(22)36)29-19-14-43-30(20(19)15-42-29)17-11-24(39-3)32(25(12-17)40-4)44-26(13-33)27(35)18-7-6-8-21(34)31(18)41-5/h6-12,19-20,26-27,29-30,33-36H,13-15H2,1-5H3/t19-,20-,26+,27-,29+,30+/m1/s1

1 reference

language of work or name

CHEMBL1797763 (English)

7 October 2016

UniChem compound ID

1 reference

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