11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Basic information
- CAS
564-33-0- Standard SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC43C)C1CCC2=O- InChIKey
WSCUHXPGYUMQEX-UHFFFAOYSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Names & identifiers
- Preferred name
- 11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- IUPAC
- 11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- 11α-Hydroxyandrost-4-ene-317-dione
- Molecular formula
- C19H26O3
- Molecular weight
- 302.41
Names & synonyms
MLS00263809811-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione11|A- Hydroxyandrost-4-ene-3,17-dioneOprea1_410438CHEMBL1715003SCHEMBL17361261NSC9720WSCUHXPGYUMQEX-UHFFFAOYSA-NHMS3080F07LS-14732SMR0015475914-ANDROSTEN-11?-OL-3,17-DIONE
Show more names
11-HYDROXYANDROSTENEDIONE11α-HydroxyandrostenedioneAndrostenedione Impurity 104-ANDROSTEN-11α-OL-3, 17-DIONE4-Androsten-Α11-Ol-3, 17-Dione11-ALPHA-HYDROXYANDROSTENEDIONE"4-ANDROSTEN-11a-OL-3, 17-DIONE"4-ANDROSTEN-11-ALPHA-OL-3,17-DIONE11β-Hydroxy-4-androsten-3,17-dione11A-HYDROXYANDROST-4-ENE-3,17-DIONE
(8R,9R,10S,11S,13R,14R)-11-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthrene-3,17-dione11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3h-cyclopenta[a]phenanthrene-3,17(2h)-dione
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Melting point
- 226 · 226-227 °C
- Boiling point
- 475.3 · 475.3±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.49 · 14.49±0.60(Predicted)
- color
- Light Yellow to Orange
- InChI
- InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17+,18-,19-/m0/s1
- InChIKey
- WSCUHXPGYUMQEX-GBHAUCNQSA-N
- SMILES
- C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)C[C@@H](O)[C@]21[H]
- CAS DataBase Reference
- 564 · 564-33-0
- FDA UNII
- 0 E3RB33W · AX0E3RB33W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Applications
Uses11b-Hydroxyandrost-4-ene-3,17-dione is an intermediate in the synthesis o formebolone (F685300), which is a anbolic steroid.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 11b-Hydroxyandrost-4-ene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.
Related reactions
4 records
Compound notes
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