scirpenol 4-monopalmitate (Q27263673)

UNII-640GM19F23 (English)

14 October 2016

chemical formula

C₃₁H₅₂O₆

1 reference

UNII-640GM19F23 (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(C2C3(C1(C4(CCC(=CC4O2)C)CO)C)CO3)O

1 reference

UNII-640GM19F23 (English)

14 October 2016

isomeric SMILES

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

1 reference

UNII-640GM19F23 (English)

InChI=1S/C31H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)37-27-26(34)28-31(22-35-31)29(27,3)30(21-32)19-18-23(2)20-24(30)36-28/h20,24,26-28,32,34H,4-19,21-22H2,1-3H3/t24-,26-,27-,28-,29-,30-,31?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-640GM19F23 (English)

JCUNSNXZHPWNCX-BJNLDGJISA-N

14 October 2016

InChIKey

1 reference

UNII-640GM19F23 (English)

14 October 2016

1 reference

(3alpha,4beta,12xi)-3,15-Dihydroxy-12,13-epoxytrichothec-9-en-4-yl palmitate (English)

14 October 2016

2 references

UNII-640GM19F23 (English)

matched by identifier from

14 October 2016

InChIKey

JCUNSNXZHPWNCX-BJNLDGJISA-N

1 reference

2 references

Global Substance Registration System

UNII

640GM19F23

scirpenol 4-monopalmitate (English)