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145553-00-0 molecular structure
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methyl (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecane-4-carboxylate

ChemBase ID: 163766
Molecular Formular: C22H34O4
Molecular Mass: 362.50296
Monoisotopic Mass: 362.24570957
SMILES and InChIs

SMILES:
C1(C(=O)C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@](CC2)(O)C)C)C)C(=O)OC
Canonical SMILES:
COC(=O)C1C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C
InChI:
InChI=1S/C22H34O4/c1-20-12-15(19(24)26-4)18(23)11-13(20)5-6-14-16(20)7-9-21(2)17(14)8-10-22(21,3)25/h13-17,25H,5-12H2,1-4H3/t13-,14+,15?,16-,17-,20-,21-,22-/m0/s1
InChIKey:
JDBGHSWJPLOAHP-ZIOLBPIXSA-N

Cite this record

CBID:163766 http://www.chembase.cn/molecule-163766.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecane-4-carboxylate
IUPAC Traditional name
methyl (1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,14,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecane-4-carboxylate
Synonyms
(5α,17β)-17-Hydroxy-17-methyl-3-oxo-androstane-2-carboxylic Acid Methyl Ester
2-Carboxy Mestanolone Methyl Ester
CAS Number
145553-00-0
PubChem SID
162257901
PubChem CID
71314547

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C178715 external link Add to cart
PubChem 71314547 external link
Data Source Data ID Price
TRC
C178715 external link Add to cart Please log in.
Data Source Data ID
PubChem 71314547 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.141917  H Acceptors
H Donor LogD (pH = 5.5) 3.804759 
LogD (pH = 7.4) 3.7340543  Log P 3.5724072 
Molar Refractivity 99.3021 cm3 Polarizability 39.796757 Å3
Polar Surface Area 63.6 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
Ethyl Acetate expand Show data source
Methanol expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C178715 external link
Stanozolol intermediate.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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