(25S)-3-ketocholest-4-en-26-al (Q27157296)

(25S)-3-oxocholest-4-en-26-al (English)

(25R)-3-ketocholest-4-en-26-al

9 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₂

1 reference

(25S)-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

(25S)-3-oxocholest-4-en-26-al (English)

9 October 2016

isomeric SMILES

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

1 reference

(25S)-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+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

(25S)-3-oxocholest-4-en-26-al (English)

BGGFPZPRXRJKGG-NYJSJAOLSA-N

9 October 2016

InChIKey

2 references

(25S)-3-oxocholest-4-en-26-al (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(25S)-3-Oxocholest-4-en-26-al (English)

9 October 2016

2 references

(25S)-3-oxocholest-4-en-26-al (English)

matched by identifier from

9 October 2016

InChIKey

BGGFPZPRXRJKGG-NYJSJAOLSA-N

Reaxys registry number

22552768

1 reference

(25S)-3-ketocholest-4-en-26-al (English)

9 October 2016

ChEBI ID

83863

mapping relation type

2 references

(25S)-3-ketocholest-4-en-26-al (English)