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23983-43-9 molecular structure
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(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl heptanoate

ChemBase ID: 797582
Molecular Formular: C26H40O3
Molecular Mass: 400.594
Monoisotopic Mass: 400.29774514
SMILES and InChIs

SMILES:
CCCCCCC(=O)O[C@@H]1CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CCC4=O)[C@]2(CC1)C
Canonical SMILES:
CCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C
InChI:
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-19-13-15-25(2)18(17-19)9-10-20-21-11-12-23(27)26(21,3)16-14-22(20)25/h9,19-22H,4-8,10-17H2,1-3H3/t19-,20-,21-,22-,25-,26-/m0/s1
InChIKey:
HHENOUDBWKNPAB-BNCSLUSBSA-N

Cite this record

CBID:797582 http://www.chembase.cn/molecule-797582.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl heptanoate
IUPAC Traditional name
(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl heptanoate
Synonyms
Dehydroepiandrosterone enanthate
CAS Number
23983-43-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O8347 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O8347 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.957706  H Acceptors
H Donor LogD (pH = 5.5) 6.281641 
LogD (pH = 7.4) 6.281641  Log P 6.281641 
Molar Refractivity 116.8413 cm3 Polarizability 46.298428 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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