scirpenol 15-monopalmitate (Q27275849)

UNII-CW28AL4VS4 (English)

14 October 2016

chemical formula

C₃₁H₅₂O₆

1 reference

UNII-CW28AL4VS4 (English)

14 October 2016

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC12CCC(=CC1OC3C(C(C2(C34CO4)C)O)O)C

1 reference

UNII-CW28AL4VS4 (English)

14 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@]12CCC(=C[C@H]1O[C@@H]3[C@@H]([C@H]([C@]2(C34CO4)C)O)O)C

1 reference

UNII-CW28AL4VS4 (English)

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

14 October 2016

Identifiers

InChI

1 reference

UNII-CW28AL4VS4 (English)

CLMNYYXHHNTYTI-BJNLDGJISA-N

14 October 2016

InChIKey

1 reference

UNII-CW28AL4VS4 (English)

14 October 2016

1 reference

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

14 October 2016

2 references

UNII-CW28AL4VS4 (English)

matched by identifier from

14 October 2016

InChIKey

CLMNYYXHHNTYTI-BJNLDGJISA-N

1 reference

2 references

Global Substance Registration System

UNII

CW28AL4VS4

scirpenol 15-monopalmitate (English)