(Q27101939)

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

(4S,5R,9R,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₆O

1 reference

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

5 October 2016

canonical SMILES

CC1C2CC=C3C4CCC(C4(CCC3C2(CCC1=O)C)C)C(C)CCCC(C)C

1 reference

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

5 October 2016

isomeric SMILES

C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C

1 reference

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1

5 October 2016

Identifiers

InChI

1 reference

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

OWKGVPXWOHLTSL-LIUJFMQASA-N

5 October 2016

InChIKey

2 references

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

OWKGVPXWOHLTSL-LIUJFMQASA-N

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

2789-43-7

1 reference

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2789-43-7

1 reference

(4alpha,5alpha)-4-Methylcholest-7-en-3-one (English)

5 October 2016

1 reference

4alpha-Methyl-5alpha-cholest-7-en-3-one (English)

5 October 2016

ChEBI ID

16495

mapping relation type

1 reference

Human Metabolome Database ID

4alpha-methyllathosterone (English)

5 October 2016

1 reference

HMDB0011606

1 reference

based on heuristic

inferred from InChIKey

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download