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Molecule
ID:125858
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₉H₃₂
Molecular Mass
260.45738
Exact Mass
260.25040102
Charge
0
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
InChIKey
QZLYKIGBANMMBK-FZFXZXLVSA-N
Canonic Smiles
C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C
Isomeric Smiles
C1C2CCCC[C@@]2([C@H]2CC[C@]3([C@H]([C@@H]2C1)CCC3)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
5.82
LogD (pH = 5.5)
5.82
Log P
5.82
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
33.54
Molar Refractivity
81.45
LOG S
-8.15
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
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Properties
Related Proteins
Molecular Spectra
Molecule Details
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Wikipedia
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Academic Data
Wikipedia
Androstane
PubChem
6857536
ChEBI
CHEBI:35509
Names and Identifiers
IUPAC name
(1S,2S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0
2
,
7
.0
1
1
,
1
5
]heptadecane
(3aS,3bS,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Traditional name
androstane
Synonyms
Etioallocholane
Androstane
androstane
Registration numbers
PubChem SID
162220203
11533653
PubChem CID
6857536
94144
Wikipedia Title
Androstane
Chemspider ID
5256872
CAS Number
24887-75-0
CHEBI ID
35509
CHEBI:35509
Patent number
EP1618881
WO2007118832
WO2007118830
US2007259837
UniProt Database
Q59327
Q9QUS1
O57539
P14060
P70694
Q8WN97
O14756
P52895
Q6AYQ2
O75795
Q8MIM3
P71864
P62044
P62045
Q9BY64
A2T7D9
Q04828
O35627
Q91WR5
Q14994
Q3T001
SureChEMBL Database
SCHEMBL157802
CompTox Database
DTXSID40179587
LIPID MAPS Instance
LMST02020000
Beilstein Number
5247532
Molecule Details
Wikipedia
Androstane
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
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PubChem SID
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PubChem CID
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Wikipedia Title
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Chemspider ID
•
CAS Number
•
CHEBI ID
•
Patent number
•
UniProt Database
•
SureChEMBL Database
•
CompTox Database
•
LIPID MAPS Instance
•
Beilstein Number