itrocinonide (Q27255871)

Itrocinonide (English)

14 October 2016

chemical formula

C₂₉H₃₈F₂O₉

1 reference

Itrocinonide (English)

14 October 2016

canonical SMILES

CCCC1OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)OC(C)OC(=O)OCC)C)O)F)C)F

1 reference

Itrocinonide (English)

14 October 2016

isomeric SMILES

CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@]4([C@H](C[C@@]3([C@@]2(O1)C(=O)O[C@H](C)OC(=O)OCC)C)O)F)C)F

1 reference

Itrocinonide (English)

InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Itrocinonide (English)

14 October 2016

1 reference

Global Substance Registration System

Itrocinonide (English)

14 October 2016

2 references

UNII

2ZW8NEP6PQ

https://commonchemistry.cas.org/detail?cas_rn=106033-96-9

itrocinonide (English)

14 October 2016

7 April 2021

1 reference

Itrocinonide (English)

14 October 2016

2 references

Itrocinonide (English)

14 October 2016

1 reference

ITROCINONIDE (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

2ZW8NEP6PQ

itrocinonide (English)

14 October 2016