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20708-81-0 molecular structure
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(1S,2R,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

ChemBase ID: 174953
Molecular Formular: C18H26O2
Molecular Mass: 274.39784
Monoisotopic Mass: 274.19328007
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)O)C
Canonical SMILES:
O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
InChI:
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17+,18-/m0/s1
InChIKey:
NPAGDVCDWIYMMC-SHRADXDESA-N

Cite this record

CBID:174953 http://www.chembase.cn/molecule-174953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
IUPAC Traditional name
(1S,2R,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
Synonyms
17α-Hydroxy-10α-estr-4-en-3-one
17α-Nortestosterone
17α-Hydroxy-19-nor-4-androsten-3-one
17-epi-Nandrolone
CAS Number
20708-81-0
PubChem SID
164230863
PubChem CID
6451993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC N314995 external link Add to cart
PubChem 6451993 external link
Data Source Data ID Price
TRC
N314995 external link Add to cart Please log in.
Data Source Data ID
PubChem 6451993 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.27889  H Acceptors
H Donor LogD (pH = 5.5) 3.065376 
LogD (pH = 7.4) 3.0653763  Log P 3.0653763 
Molar Refractivity 79.9547 cm3 Polarizability 31.416986 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
140-145°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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