17β-Acetoxy-2α-bromo-5α-androstan-3-one
CAS Registry Number®
6173-35-9
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CAS Name
17β-Acetoxy-2α-bromo-5α-androstan-3-oneMolecular Formula
C21H31BrO3Molecular Mass
411.37Cite this Page
17β-Acetoxy-2α-bromo-5α-androstan-3-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6173-35-9 (retrieved ) (CAS RN: 6173-35-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
177-178 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H31BrO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19-,20-,21-/m0/s1
InChIKey
InChIKey=KIYCCKUSMYHYMN-LKIOEXHTSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](OC(C)=O)CC4)[H])(CC[C@]1(CC(=O)[C@H](Br)C2)[H])[H])[H]
Canonical SMILES
O=C(OC1CCC2C3CCC4CC(=O)C(Br)CC4(C)C3CCC12C)C
Other Names for this Substance
- Androstan-3-one, 17-(acetyloxy)-2-bromo-, (2α,5α,17β)-
- 5α-Androstan-3-one, 2α-bromo-17β-hydroxy-, acetate
- (2α,5α,17β)-17-(Acetyloxy)-2-bromoandrostan-3-one
- 17β-Acetoxy-2α-bromo-5α-androstan-3-one
- 2α-Bromo-17β-hydroxy-5α-androstan-3-one acetate
