Alphadolone
CAS Registry Number®
14107-37-0
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CAS Name
AlphadoloneMolecular Formula
C21H32O4Molecular Mass
348.48Cite this Page
Alphadolone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14107-37-0 (retrieved ) (CAS RN: 14107-37-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
160-170 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,19+,20-,21-/m0/s1
InChIKey
InChIKey=XWYBFXIUISNTQG-VKMGZQQJSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(CO)=O)CC4)[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(CO)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C
Other Names for this Substance
- Pregnane-11,20-dione, 3,21-dihydroxy-, (3α,5α)-
- 5α-Pregnane-11,20-dione, 3α,21-dihydroxy-
- (3α,5α)-3,21-Dihydroxypregnane-11,20-dione
- Alfadolone
- Alphadolone
