Basic information
- CAS
2099-26-5- Standard SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1- InChIKey
QXKRUGDXPWHXHL-FQJIPJFPSA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570957
Names & identifiers
- Preferred name
- Androstenediol diacetate
- IUPAC
- [(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- English name
- Androstenediol diacetate
- Molecular formula
- C23H34O4
- Molecular weight
- 374.51
Names & synonyms
Androstenediol diacetate2099-26-5Androst-5-ene-3beta,17beta-diol 3,17-diacetate[(3S,8R,9S,10R,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate262F47Z2CDAndrost-5-ene-3,17-diol, 3,17-diacetate, (3beta,17beta)-SCHEMBL607024UNII-262F47Z2CDAndrostenediol 3,17-diacetateDTXSID10943297EM-1305-CS3beta,17betadiacetoxyandrost-5-ene
Show more names
androst-5-ene-3a,17β-diolANDROSTENDIOL 3,17-DIACETATEAndrostenediol 3,17-diacetat3β,17β-Diacetoxyandrosta-5-eneAndrosta-5-ene-3β,17β-diol diacetateDELTA-5-ANDROSTENE-3,17-DIOL DIACETATEAndrost-5-ene-3β,17β-diol 3,17-diacetate5-ANDROSTEN-3-BETA, 17-BETA-DIOL DIACETATEandrost-5-ene-(3beta,17beta)-diyl diacetate
EINECS 218-264-23beta,17beta diacetoxyandrost-5-ene5-Isoandrosten-3,17-diol diacetateANDROSTENEDIOL DIACETATE [MI]3beta,17beta-diacetoxy-androst-5-en3beta,17beta- diacetoxyandrost-5-eneFA670255-androstene-3beta,17beta-diol diacetate
Database identifiers
- CAS
2099-26-5- PubChem CID
- 102205
- DTXSID
DTXSID10943297- UNII
- 262F47Z2CD
- EC Number
- 218-264-2
- Nikkaji
- J298.693K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 667
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 165 · 165-166°
- alpha
- 18 · D18 -56.5° (alc)
- Boiling point
- 448.9 · 448.9±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 262 F47Z2CD · 262F47Z2CD
Chemistry & industry
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Apeloa production Co.,Limited+86-19131931000 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
11 records
Compound notes
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