(Q27136643)

CHEBI:68153 (English)

(+)-(7''S,8S,8'R,8''R)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₀O₈

1 reference

CHEBI:68153 (English)

7 October 2016

canonical SMILES

CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C(=C2)OC)OC(C)C(C3=CC(=C(C=C3)O)OC)O)OC

1 reference

CHEBI:68153 (English)

7 October 2016

isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[C@H](C)CC2=CC(=C(C(=C2)OC)O[C@@H](C)[C@H](C3=CC(=C(C=C3)O)OC)O)OC

1 reference

Bioactive neolignans and lignans from the bark of Machilus robusta

CHEBI:68153 (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C31H40O8/c1-18(12-21-8-10-24(32)26(14-21)35-4)19(2)13-22-15-28(37-6)31(29(16-22)38-7)39-20(3)30(34)23-9-11-25(33)27(17-23)36-5/h8-11,14-20,30,32-34H,12-13H2,1-7H3/t18-,19+,20-,30+/m0/s1

1 reference

CHEBI:68153 (English)

SXBVVAJDHDRCBF-RIDHQVKPSA-N

7 October 2016

InChIKey

2 references

CHEBI:68153 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-[(1S,2S)-1-Hydroxy-2-{4-[(2R,3S)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2,6-dimethoxyphenoxy}propyl]-2-methoxyphenol (English)

7 October 2016

2 references

CHEBI:68153 (English)

matched by identifier from

7 October 2016

InChIKey

SXBVVAJDHDRCBF-RIDHQVKPSA-N

Reaxys registry number

21646985

1 reference

(+)-(7''S,8S,8'R,8''S)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol (English)

7 October 2016

ChEBI ID

68153

mapping relation type

2 references

(+)-(7''S,8S,8'R,8''S)-4,4''-dihydroxy-3,3',3'',5'-tetramethoxy-4',8''-oxy-8,8'-sesquineolignan-7''-ol (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C31H40O8/c1-18(12-21-8-10-24(32)26(14-21)35-4)19(2)13-22-15-28(37-6)31(29(16-22)38-7)39-20(3)30(34)23-9-11-25(33)27(17-23)36-5/h8-11,14-20,30,32-34H,12-13H2,1-7H3/t18-,19+,20-,30+/m0/s1

1 reference