scirpenol 3-monopalmitate (Q27258096)

UNII-3VQQ2503I6 (English)

14 October 2016

chemical formula

C₃₁H₅₂O₆

1 reference

UNII-3VQQ2503I6 (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC1C(C2(C3(CCC(=CC3OC1C24CO4)C)CO)C)O

1 reference

UNII-3VQQ2503I6 (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]2([C@]3(CCC(=C[C@H]3O[C@H]1C24CO4)C)CO)C)O

1 reference

UNII-3VQQ2503I6 (English)

InChI=1S/C31H52O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(33)37-26-27(34)29(3)30(21-32)19-18-23(2)20-24(30)36-28(26)31(29)22-35-31/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-3VQQ2503I6 (English)

QHIGUUMXCSYCLC-BJNLDGJISA-N

14 October 2016

InChIKey

1 reference

UNII-3VQQ2503I6 (English)

14 October 2016

1 reference

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

14 October 2016

2 references

UNII-3VQQ2503I6 (English)

matched by identifier from

14 October 2016

InChIKey

QHIGUUMXCSYCLC-BJNLDGJISA-N

1 reference

2 references

Global Substance Registration System

UNII

3VQQ2503I6

scirpenol 3-monopalmitate (English)