Alphadolone

CAS Registry Number®

14107-37-0

CAS Name

Alphadolone

Molecular Formula

C21H32O4

Molecular Mass

348.48

Cite 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 2024-11-22) (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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration