(Q27138999)

CHEBI:70667 (English)

(-)-(7'S,8'S)-threo-carolignan X

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₀O₁₂

1 reference

CHEBI:70667 (English)

7 October 2016

canonical SMILES

COC1=C(C=CC(=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)OC)OC(COC(=O)C=CC3=CC=C(C=C3)O)C(C4=CC(=C(C=C4)O)OC)O

1 reference

CHEBI:70667 (English)

7 October 2016

isomeric SMILES

COC1=C(C=CC(=C1)CCCOC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O[C@@H](COC(=O)/C=C/C3=CC=C(C=C3)O)[C@@H](C4=CC(=C(C=C4)O)OC)O

1 reference

Lignans and Triterpenes from the Bark ofDurio carinatusandDurio oxleyanus

CHEBI:70667 (English)

7 October 2016

1 reference

Durio carinatus

1 reference

stated in

Lignans and Triterpenes from the Bark ofDurio carinatusandDurio oxleyanus

Identifiers

InChI

InChI=1S/C39H40O12/c1-46-33-21-27(8-15-30(33)41)11-19-37(43)49-20-4-5-26-9-17-32(35(22-26)48-3)51-36(39(45)28-12-16-31(42)34(23-28)47-2)24-50-38(44)18-10-25-6-13-29(40)14-7-25/h6-19,21-23,36,39-42,45H,4-5,20,24H2,1-3H3/b18-10+,19-11+/t36-,39+/m0/s1

1 reference

CHEBI:70667 (English)

ZLYDRQZJTMLSQL-NZPBQFBHSA-N

7 October 2016

InChIKey

2 references

CHEBI:70667 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-(4-{[(1R,2S)-1-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-{[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-2-propanyl]oxy}-3-methoxyphenyl)propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate (English)

7 October 2016

2 references