FComEx: Epietiocholanolone (PC000500)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:58 UTC

Update date

2017-01-19 02:36:26 UTC

FoodComEx ID

PC000500

FoodDB Record

FDB022109

Chemical Information

Name

Epietiocholanolone

Description

An anabolic steroid similar in structure to androstenedione. It is used by body-builders to add muscle mass, but with unknown side effects. [HMDB]

CAS Number

571-31-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
3b-Etiocholanolone	hmdb
3b-Hydroxy-17-oxo-5b-androstane	hmdb
3b-Hydroxy-5b-androstan-17-one	hmdb
3b-Hydroxy-5b-androstane-17-one	hmdb
3b-Hydroxyetiocholan-17-one	hmdb
5b-Androstan-3b-ol-17-one	hmdb
5b-Androstane-3b-ol-17-one	hmdb
5b-Epiandrosterone	hmdb
b-Etiocholanolone	hmdb
beta-Etiocholanolone	hmdb
epi-5b-Androsterone	hmdb
Epiaetiocholanolone	hmdb
Epietiocholanolone	hmdb
Etiocholan-3b-ol-17-one	hmdb
M1A	hmdb
Methyl-1-alpha	hmdb

Chemical Formula

C19H30O2

IUPAC name

(1S,2S,5S,7R,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one

InChI Identifier

InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1

InChI Key

QGXBDMJGAMFCBF-XRJZGPCZSA-N

Isomeric SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C

Average Molecular Weight

290.4403

Monoisotopic Molecular Weight

290.224580204

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Androstane steroids

Direct Parent

Androgens and derivatives

Alternative Parents