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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
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ChemBase ID:
174957
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Molecular Formular:
C29H46O3
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Molecular Mass:
442.67374
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Monoisotopic Mass:
442.34469533
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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
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Cite this record
CBID:174957 http://www.chembase.cn/molecule-174957.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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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
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IUPAC Traditional name
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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
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Synonyms
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(17β)-17-[(1-Oxoundecyl)oxy]-estr-4-en-3-one
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Nandrolone Undecanoate
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Dynabolon
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Nandrolone 17β-Undecanoate
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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19.278885
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H Acceptors
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2
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H Donor
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0
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LogD (pH = 5.5)
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7.7635865
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LogD (pH = 7.4)
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7.7635865
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Log P
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7.7635865
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Molar Refractivity
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130.5411 cm3
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Polarizability
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51.82931 Å3
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Polar Surface Area
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43.37 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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false
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google 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
PubChem Patent
Google Patent