(Q27138006)

Ligraminol C (English)

[(1S,2S)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl] acetate

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

[(1S,2S)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate

inferred from InChI

1 reference

[(1R,2R)-1-(3,4-dimethoxyphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)propyl] acetate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₃H₂₈O₆

1 reference

Ligraminol C (English)

7 October 2016

canonical SMILES

CC=CC1=CC(=C(C=C1)OC(C)C(C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC

1 reference

Ligraminol C (English)

7 October 2016

isomeric SMILES

C/C=C\C1=CC(=C(C=C1)O[C@H](C)[C@@H](C2=CC(=C(C=C2)OC)OC)OC(=O)C)OC

1 reference

Bioactive lignans from the rhizomes of Acorus gramineus

Ligraminol C (English)

7 October 2016

2 references

stated in

Bioactive lignans from the rhizomes of Acorus gramineus

Identifiers

InChI

InChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1

1 reference

Ligraminol C (English)

PYVVKTYHVHGNMI-ZJTDORCHSA-N

7 October 2016

InChIKey

2 references

Ligraminol C (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,2R)-1-(3,4-Dimethoxyphenyl)-2-{2-methoxy-4-[(1Z)-1-propen-1-yl]phenoxy}propyl acetate (English)

7 October 2016

2 references

Ligraminol C (English)

matched by identifier from

7 October 2016

InChIKey

PYVVKTYHVHGNMI-ZJTDORCHSA-N

ChEBI ID

69665

mapping relation type

2 references

Ligraminol C (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H28O6/c1-7-8-17-9-11-20(21(13-17)26-5)28-15(2)23(29-16(3)24)18-10-12-19(25-4)22(14-18)27-6/h7-15,23H,1-6H3/b8-7-/t15-,23+/m1/s1

1 reference