delta6-Testosterone enanthate
PubChem CID
52224350
Structure
Molecular Formula
Synonyms
- delta6-testosterone enanthate
- .DELTA.-6 Testosterone Enanthate
- OHS79I4S8Z
- MBDSQHSIHDFMSA-IXKNJLPQSA-N
- DTXSID301344997
Molecular Weight
398.6 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2011-05-20
- Modify:2025-01-18
Chemical Structure Depiction
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C26H38O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h9-10,17,20-23H,4-8,11-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
MBDSQHSIHDFMSA-IXKNJLPQSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H38O3
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- delta6-testosterone enanthate
- .DELTA.-6 Testosterone Enanthate
- OHS79I4S8Z
- MBDSQHSIHDFMSA-IXKNJLPQSA-N
- DTXSID301344997
- HMS3650D15
- .DELTA.6-TESTOSTERONE ENANTATE
- .DELTA.6-TESTOSTERONE ENANTHATE
- SR-01000946330
- SR-01000946330-1
- Q27285662
- TESTOSTERONE ENANTATE IMPURITY F [EP IMPURITY]
- 3-OXOANDROSTA-4,6-DIEN-17.BETA.-YL HEPTANOATE
- (10R,13S,17S)-10,13-Dimethyl-3-oxo-2,3,8,9,10,11,12,13, 14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate
- (8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl heptanoate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
398.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
6.1
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
398.28209507 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
398.28209507 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
43.4 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
719
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
6
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
NIST Number
1220873
Instrument Type
IT/ion trap
Collision Energy
0
Spectrum Type
MS2
Precursor Type
[M+H]+
Precursor m/z
399.2894
Total Peaks
117
m/z Top Peak
133.1
m/z 2nd Highest
269.2
m/z 3rd Highest
263.2
Thumbnail
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxdelta6-Testosterone Enanthatehttps://comptox.epa.gov/dashboard/DTXSID301344997CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking.DELTA.6-TESTOSTERONE ENANTHATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/OHS79I4S8Z
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law.DELTA.-6 Testosterone enanthatehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase.delta.-6-Testosterone Enanthatehttps://spectrabase.com/spectrum/HeTLsrFnitVdelta-6-Testosterone enanthatehttps://spectrabase.com/spectrum/GWnLArMQyPI
- Wikidataδ6-testosterone enanthatehttps://www.wikidata.org/wiki/Q27285662
- PubChem
- NCBI
CONTENTS