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862-89-5 molecular structure
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(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl undecanoate

ChemBase ID: 174957
Molecular Formular: C29H46O3
Molecular Mass: 442.67374
Monoisotopic Mass: 442.34469533
SMILES and InChIs

SMILES:
C1C(=O)C=C2[C@H](C1)[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)OC(=O)CCCCCCCCCC)C
Canonical SMILES:
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12
InChI:
InChI=1S/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24+,25+,26-,27-,29-/m0/s1
InChIKey:
GRAAWEGTURLYKP-MVTMSODMSA-N

Cite this record

CBID:174957 http://www.chembase.cn/molecule-174957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl undecanoate
IUPAC Traditional name
(1S,2R,10R,11S,14S,15S)-15-methyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl undecanoate
Synonyms
(17β)-17-[(1-Oxoundecyl)oxy]-estr-4-en-3-one
Nandrolone Undecanoate
Dynabolon
Nandrolone 17β-Undecanoate
CAS Number
862-89-5
PubChem SID
164230867
PubChem CID
94193

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC N315070 external link Add to cart
PubChem 94193 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 94193 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.278885  H Acceptors
H Donor LogD (pH = 5.5) 7.7635865 
LogD (pH = 7.4) 7.7635865  Log P 7.7635865 
Molar Refractivity 130.5411 cm3 Polarizability 51.82931 Å3
Polar Surface Area 43.37 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Musshoff, F., et al.: J. For. Sci., 42, 1119 (1997)
  • • Pagonis, T., et al.: Clin. Toxicol., 46, 57 (1997)
  • • Sartorio, A., et al.: Eur. J. Endocrinol., 150, 511 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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