(Q27159331)

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

9 October 2016

chemical formula

C₂₉H₄₈O₂

1 reference

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

9 October 2016

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4(C)C=O)O)C)C

1 reference

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

9 October 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C

1 reference

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h18-20,22-23,25-26,31H,7-17H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1

9 October 2016

Identifiers

InChI

1 reference

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

WWTBBRMTEFBUND-WKYRUEGDSA-N

9 October 2016

InChIKey

2 references

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3beta,4alpha,5alpha)-3-Hydroxy-4-methylcholest-8-ene-4-carbaldehyde (English)

9 October 2016

1 reference

4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol (English)

9 October 2016

ChEBI ID

87046

mapping relation type

1 reference

Human Metabolome Database ID

4alpha-formyl-4beta-methyl-5alpha-8-cholesten-3beta-ol (English)

9 October 2016

1 reference

inferred from InChIKey

1 reference

HMDB0012168

0 references

HMDB0062388

1 reference

based on heuristic

inferred from InChIKey

0 references

1 reference

https://www.swisslipids.org/#/downloads