Androstenediol diacetate

HCID 102205

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

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

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]

Related reactions

11 records

Compound notes

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