(Q27157170)

3-oxocholest-4-en-26-al (English)

9 October 2016

chemical formula

C₂₇H₄₂O₂

1 reference

3-oxocholest-4-en-26-al (English)

9 October 2016

canonical SMILES

CC(CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C=O

1 reference

3-oxocholest-4-en-26-al (English)

9 October 2016

isomeric SMILES

C[C@H](CCCC(C)C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

1 reference

3-oxocholest-4-en-26-al (English)

InChI=1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

3-oxocholest-4-en-26-al (English)

BGGFPZPRXRJKGG-XVENTEFESA-N

9 October 2016

InChIKey

2 references

3-oxocholest-4-en-26-al (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Oxocholest-4-en-26-al (English)

9 October 2016

1 reference

3-oxocholest-4-en-26-al (English)

9 October 2016

ChEBI ID

83746

mapping relation type

1 reference