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303-42-4 molecular structure
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(1S,2S,7S,10R,11S,14S,15S)-2,3,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-3-en-14-yl heptanoate

ChemBase ID: 797589
Molecular Formular: C27H42O3
Molecular Mass: 414.62058
Monoisotopic Mass: 414.3133952
SMILES and InChIs

SMILES:
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
Canonical SMILES:
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C(=CC(=O)C2)C
InChI:
InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1
InChIKey:
TXUICONDJPYNPY-FRXWOFFRSA-N

Cite this record

CBID:797589 http://www.chembase.cn/molecule-797589.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2S,7S,10R,11S,14S,15S)-2,3,15-trimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-3-en-14-yl heptanoate
IUPAC Traditional name
primobolan depot
Synonyms
Methenolone enanthate
CAS Number
303-42-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O8359 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O8359 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.572378  LogD (pH = 7.4) 6.572378 
Log P 6.572378  Molar Refractivity 121.1608 cm3
Polarizability 48.141815 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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