10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

HCID 261258

Grundinformationen

CAS
4075-07-4
Standard-SMILES
CC12C=CCC1C1CCC3=CC(=O)CCC3(C)C1CC2
InChIKey
HNDHDMOSWUAEAW-UHFFFAOYSA-N
Summenformel
C19H26O
Durchschnittliche Molmasse
270,4 g/mol
Monoisotopische Masse
270,19836545

Namen und Bezeichner

Bevorzugter Name
10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
IUPAC
10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Englischer Name
4,16-Androstadien-3-one
Summenformel
C19H26O
Molmasse
270.41

Namen und Synonyme

CHEMBL141998NSC93234NCIOpen2_005884SCHEMBL20424563BDBM5042249010,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-oneFA157858NS00121987AndrostadienoneNSC 93234androst-4,16 dien-3-one.δ.4,16-Androstadien-3-one
Weitere Namen anzeigen
Androsta-4,16-dien-3-one (6CI, 7CI, 8CI, 9CI, ACI)TIANFUCHEM--4075-07-4--High purity 4,16-Androstadien-3-one in stock(8S,9S,10R,13R,14S)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

Datenbank-Bezeichner

CAS
4075-07-4
PubChem CID
261258
ChEMBL
CHEMBL141998

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
20

Physikochemische Eigenschaften

Schmelzpunkt
131.5 · 131.5-133.5 °C
Siedepunkt
390.3 · 390.3±42.0 °C(Predicted)
Dichte
1.07 · 1.07±0.1 g/cm3(Predicted)
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Solid
Farbe
White to Off-White

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H351

Chemie und Industrie

Anwendungen · 2 Einträge

OccurrenceIt has been reported that 4,16-Androstadien-3-one (androstadienone) affects subjects'mood, psychophysiological responses and brain activity. 4,16-Androstadien-3-one is a member of the family of odorous 16-androstenes and can be found in the peripheral blood plasma of men to the extent of 98 ng/100 ml blood and in their axillary secretion with a mean value of 228 pmol/total axillary hair weight. Androstadienone can also be found in women but at a much smaller concentration. Male axillae are said to be dominated by coryneform bacteria, while women's axillae microflora are said to be dominated by micrococcacea bacteria. Although examined in only a few subjects, it has been shown that there is a high correlation between coryneform bacteria and the amount of 5α-androst-16-en-3-one (androstenone)[1].

VerwendenAndrostadienone is a prominent androstene present on male human axillary hair and on the male axillary skin surface. Studies suggest that Androstadienone has a strong pheromone-like activities in hum ans. Androstadienone is a metabolite of Testosterone (T155000).

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionThe main 16-androstenes occurring in humans are 5α-androst-16-en-3-one (5α-androstenone), 5α-androst-16-en-3α-ol (5α-androstenol), and 4,16-androstadien-3-one (androstadienone). Their metabolism has been extensively studied in pigs, and they are produced in the Leydig cells in the testes from the precursor pregnenolone. In humans, it is thought that these compounds are produced in the adrenal glands and the ovary and that their metabolism follows a common steroidogenic pathway. Androstenol has been detected in human urine; androstenone and androstadienone occur in plasma and saliva.

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