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(1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyl(4,4,5,6,6-2H5)tetracyclo[8.7.0.02,7.011,15]heptadecan-14-one
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ChemBase ID:
160630
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Molecular Formular:
C19H30O2
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Molecular Mass:
290.4403
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Monoisotopic Mass:
290.2245802
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SMILES and InChIs
SMILES:
C1[C@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)(C(=O)CC2)C)C)O
Canonical SMILES:
O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
InChI:
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-/m0/s1
InChIKey:
QGXBDMJGAMFCBF-HLUDHZFRSA-N
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Cite this record
CBID:160630 http://www.chembase.cn/molecule-160630.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyl(4,4,5,6,6-2H5)tetracyclo[8.7.0.02,7.011,15]heptadecan-14-one
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IUPAC Traditional name
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(1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyl(4,4,5,6,6-2H5)tetracyclo[8.7.0.02,7.011,15]heptadecan-14-one
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Synonyms
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(3α,5α)-3-Hydroxyandrostan-17-one-d5
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3-Epihydroxyetioallocholan-17-one-d5
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3α-Hydroxy-17-androstanone-d5
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3α-Hydroxy-5α-androstan-17-one-d5
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3α-Hydroxyetioallocholan-17-one-d5
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5α-Androsterone-d5
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Androkinin-d5
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Androtin-d5
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Atromide ICI-d5
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NSC 9898-d5
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U 60366-d5
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Androsterone-d5
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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18.296396
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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3.7672846
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LogD (pH = 7.4)
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3.7672846
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Log P
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3.7672846
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Molar Refractivity
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83.8089 cm3
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Polarizability
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33.49998 Å3
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Polar Surface Area
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37.3 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
A637537
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A labelled steroid hormone with weak androgenic activity. It is metabolized from Testosterone (T155000) in the liver and is used in doping analysis to detect testosterone misuse. Controlled Substance. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Park, J., et al.: J. Anal. Toxicol., 14, 66 (1990)
- • ; Palonek, E., et al.: J. Steroid Mol. Biol., 55, 121 (1990)
- • Aguilera, R., et al.: Clin. Chem. 47, 292 (1990)
- • Flenker, U., et al.: Steroids, 73, 408 (1990)
- • Saudan, C. et al.: Steroids, 70, 179 (1990)
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PATENTS
PATENTS
PubChem Patent
Google Patent