Home > Compound List > Compound details
23633-63-8 molecular structure
click picture or here to close

(1S,2R,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-3-en-14-one

ChemBase ID: 165631
Molecular Formular: C19H28O2
Molecular Mass: 288.42442
Monoisotopic Mass: 288.20893014
SMILES and InChIs

SMILES:
C1=C[C@]2([C@H](C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
Canonical SMILES:
O[C@H]1C=C[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
InChI:
InChI=1S/C19H28O2/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/h7,9,12-16,20H,3-6,8,10-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey:
DYMROBVXGSLPAY-LUJOEAJASA-N

Cite this record

CBID:165631 http://www.chembase.cn/molecule-165631.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-3-en-14-one
IUPAC Traditional name
(1S,2R,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-3-en-14-one
Synonyms
(3β,5α)-3-Hydroxy-androst-1-en-17-one
3β-Hydroxy-5α-androst-1-en-17-one
1-Androsterone
1-Dehydro Epiandrosterone
CAS Number
23633-63-8
PubChem SID
162259764
PubChem CID
67430008

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D229575 external link Add to cart
PubChem 67430008 external link
Data Source Data ID Price
TRC
D229575 external link Add to cart Please log in.
Data Source Data ID
PubChem 67430008 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.504276  H Acceptors
H Donor LogD (pH = 5.5) 3.5612702 
LogD (pH = 7.4) 3.5612702  Log P 3.5612702 
Molar Refractivity 84.7715 cm3 Polarizability 33.260063 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Apperance
White Solid expand Show data source
Melting Point
180-182°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D229575 external link
Androsterone metabolite. Suitable for the detection of steroid abuse screenings.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Parr, M. et al.: Steroids 76, 540 (2011).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle