(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (Q27136097)

CHEBI:67630 (English)

4-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₈

1 reference

CHEBI:67630 (English)

7 October 2016

canonical SMILES

COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC

1 reference

CHEBI:67630 (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)OC)OC

1 reference

Lignans and neolignans from Sinocalamus affinis and their absolute configurations.

CHEBI:67630 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1

1 reference

CHEBI:67630 (English)

AJMQKDTUOKAQNT-SDVFQCAASA-N

7 October 2016

InChIKey

2 references

CHEBI:67630 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2,6-Dimethoxy-4-[(1R,3aS,4R,6aS)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol (English)

7 October 2016

2 references

CHEBI:67630 (English)

matched by identifier from

7 October 2016

InChIKey

AJMQKDTUOKAQNT-SDVFQCAASA-N

Reaxys registry number

21559774

1 reference

(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (English)

7 October 2016

ChEBI ID

67630

mapping relation type

2 references

(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1

1 reference