(16α)-17,21-Dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione

CAS Registry Number®

13209-41-1
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CAS Name

(16α)-17,21-Dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione

Molecular Formula

C22H28O4

Molecular Mass

356.46

Cite this Page

(16α)-17,21-Dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13209-41-1 (retrieved 2024-04-19) (CAS RN: 13209-41-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-231 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1

InChIKey

InChIKey=ZYTXTXAMMDTYDQ-DGEXFFLYSA-N

SMILES

C[C@@]12[C@]([C@]3(C(=CC1)[C@]4(C)C(CC3)=CC(=O)C=C4)[H])(C[C@@H](C)[C@@]2(C(CO)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CC(C)C4(O)C(=O)CO)C

Other Names for this Substance

  • Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-16-methyl-, (16α)-
  • Pregna-1,4,9(11)-triene-3,20-dione, 17,21-dihydroxy-16α-methyl-
  • (16α)-17,21-Dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
  • 17α,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione
  • VBP 15

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Deleted or Replaced CAS Registry Numbers

106073-65-8

CAS INSIGHTSTM
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