Basic information
- CAS
67034-83-7- Standard SMILES
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O- InChIKey
FMGSKLZLMKYGDP-UHFFFAOYSA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893013
Names & identifiers
- Preferred name
- 3-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-one
- IUPAC
- 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- English name
- Dehydroepiandrosterone-16,16-d2
- Molecular formula
- C19H26D2O2
- Molecular weight
- 290.44
Names & synonyms
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneDTXSID8013318663-Hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta(a)phenanthren-17-oneRefChem:1067920DTXCID0020903667034-83-73-Hydroxyandrost-5-en-17-oneITdUMFCD00003613Spectrum_000661SpecPlus_000094Spectrum2_000359
Show more names
Dehydroepiandrosterone-d2D2-Dehydroepiandrosterone[2H2]-DehydroepiandrosteroneDehydroepiandrosterone-16,16-d2Dehydroepiandrosterone-D2 (DHEA-16,16-d2)Dehydroepiandrosterone (DHEA) (16,16-D?, 97%)Dehydroepiandrosterone-16,16-d2 (DHEA-16,16-d2)
Spectrum3_000116Spectrum4_001395Spectrum5_000130KBioGR_001750KBioSS_001141CHEMBL31399DivK1c_006190SPBio_000457
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 426.696 · 426.696±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.122 · 1.122±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- form
- Solid
- pka
- 15.021 · 15.021±0.60(predicted)
- color
- White to off-white
- CAS Number Unlabeled
- 53 · 53-43-0
Chemistry & industry
Suppliers17 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
10 records
Compound notes
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