(6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione

CAS Registry Number®

6870-94-6

CAS Name

(6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione

Molecular Formula

C22H30O4

Molecular Mass

358.47

Cite this Page

(6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6870-94-6 (retrieved 2024-11-22) (CAS RN: 6870-94-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3/t12-,15-,16-,18-,19+,20-,21-,22-/m0/s1

InChIKey

InChIKey=UWMKPWKZGHRUQC-RSWUNGFYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)C)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17-dihydroxy-6α-methyl-
  • (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione
  • NSC 125051
  • 11β,17α-Dihydroxy-6α-methylpregna-1,4-diene-3,20-dione

CAS INSIGHTSTM
Hourglass and a clock