(Q27252777)

UNII-1R3CQO7CKO (English)

14 October 2016

chemical formula

C₃₁H₅₀O₅

1 reference

UNII-1R3CQO7CKO (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC1CC2C3(C1(C4(CC(=O)C(=CC4O2)C)C)C)CO3

1 reference

UNII-1R3CQO7CKO (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2C3([C@]1([C@]4(CC(=O)C(=C[C@H]4O2)C)C)C)CO3

1 reference

UNII-1R3CQO7CKO (English)

InChI=1S/C31H50O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(33)36-26-20-27-31(22-34-31)30(26,4)29(3)21-24(32)23(2)19-25(29)35-27/h19,25-27H,5-18,20-22H2,1-4H3/t25-,26-,27-,29+,30-,31?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-1R3CQO7CKO (English)

ALAKXPPBGLXDKP-WDBJJVJHSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-1R3CQO7CKO (English)

14 October 2016

1 reference

UNII

1R3CQO7CKO

trichothecolone palmitate (English)

14 October 2016

1 reference

(4beta,12xi)-8-Oxo-12,13-epoxytrichothec-9-en-4-yl palmitate (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-1R3CQO7CKO (English)

14 October 2016

1 reference

1 reference

UNII

1R3CQO7CKO

trichothecolone palmitate (English)