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1089-78-7 molecular structure
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(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-2(7)-en-5-one

ChemBase ID: 176915
Molecular Formular: C18H26O2
Molecular Mass: 274.39784
Monoisotopic Mass: 274.19328007
SMILES and InChIs

SMILES:
C1C(=O)CC2=C(C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C
Canonical SMILES:
O=C1CCC2=C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
InChI:
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-17,20H,2-10H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey:
BAZGVDKAIHZPOH-ZBRFXRBCSA-N

Cite this record

CBID:176915 http://www.chembase.cn/molecule-176915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-2(7)-en-5-one
IUPAC Traditional name
prenortestosterone
Synonyms
17β-Hydroxy-19-norandrost-5(10)-en-3-one
17β-Hydroxyestr-5(10)-en-3-one
Estr-5(10)-en-17β-ol-3-one
NSC 37320
Prenortestosterone
CAS Number
1089-78-7
PubChem SID
164232825
PubChem CID
235672

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P712760 external link Add to cart
PubChem 235672 external link
Data Source Data ID Price
TRC
P712760 external link Add to cart Please log in.
Data Source Data ID
PubChem 235672 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.301239  H Acceptors
H Donor LogD (pH = 5.5) 2.661973 
LogD (pH = 7.4) 2.6619732  Log P 2.6619732 
Molar Refractivity 79.7114 cm3 Polarizability 31.416986 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
Dichloromethane expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P712760 external link
Testosterone (T155000) derivative. Inhibits estrogen biosynthesis. A steroid ligand for the cytosol androgen receptor (AR) of rat prostate.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Ojasoo, T. et al.; J. Steroid Biochem. 27, 255 (1987)
  • • Schwarzel, W. et al.; Endrocrinology 92, 866 (1987)
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PATENTS

PATENTS

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INTERNET

INTERNET

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