11α,17α,21-Trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione

CAS Registry Number®

78761-59-8

CAS Name

11α,17α,21-Trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione

Molecular Formula

C22H30O5

Molecular Mass

374.47

Cite this Page

11α,17α,21-Trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78761-59-8 (retrieved 2024-11-21) (CAS RN: 78761-59-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17-,19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=WNYLPFCKNQAAMB-JPDWDDBRSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(C[C@@H](C)[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-16-methyl-, (11α,16α)-
  • (11α,16α)-11,17,21-Trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 11α,17α,21-Trihydroxy-16α-methyl-1,4-pregnadiene-3,20-dione

CAS INSIGHTSTM
Targeted protein degrader structure, illustration