Home > Compound List > Compound details
315-37-7 molecular structure
click picture or here to close

(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl heptanoate

ChemBase ID: 130700
Molecular Formular: C26H40O3
Molecular Mass: 400.594
Monoisotopic Mass: 400.29774514
SMILES and InChIs

SMILES:
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C
Canonical SMILES:
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
InChI:
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKey:
VOCBWIIFXDYGNZ-IXKNJLPQSA-N

Cite this record

CBID:130700 http://www.chembase.cn/molecule-130700.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl heptanoate
IUPAC Traditional name
everone
Synonyms
Testosterone enanthate
Testosterone enanthate
17β-羟基-4-雄甾烯-3-酮-17-庚酸酯
4-雄甾烯-17β-醇-3-酮-17-庚酸酯
睾酮-17β-庚酸酯
睾酮庚酸酯
CAS Number
315-37-7
EC Number
206-253-5
MDL Number
MFCD00055890
PubChem SID
162224978
24900096
PubChem CID
9416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.086855  H Acceptors
H Donor LogD (pH = 5.5) 6.2853594 
LogD (pH = 7.4) 6.2853594  Log P 6.2853594 
Molar Refractivity 116.6122 cm3 Polarizability 46.298428 Å3
Polar Surface Area 43.37 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
XA3080000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
45-63 expand Show data source
Safety Statements
53-22-36/37/39-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H350-H361 expand Show data source
GHS Precautionary statements
P201-P281-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Drug Control
USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Grade
analytical standard, for drug analysis expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle