(11β,16α)-11,17-Dihydroxy-6,16-dimethyl-2′-phenyl-21-[(3-sulfobenzoyl)oxy]-2′H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one

CAS Registry Number®

50801-44-0
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CAS Name

(11β,16α)-11,17-Dihydroxy-6,16-dimethyl-2′-phenyl-21-[(3-sulfobenzoyl)oxy]-2′H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one

Molecular Formula

C37H40N2O8S

Molecular Mass

672.79

Cite this Page

(11β,16α)-11,17-Dihydroxy-6,16-dimethyl-2′-phenyl-21-[(3-sulfobenzoyl)oxy]-2′H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50801-44-0 (retrieved 2024-04-20) (CAS RN: 50801-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H40N2O8S/c1-21-13-27-29-14-22(2)37(43,32(41)20-47-34(42)23-9-8-12-26(15-23)48(44,45)46)36(29,4)18-31(40)33(27)35(3)17-24-19-38-39(30(24)16-28(21)35)25-10-6-5-7-11-25/h5-13,15-16,19,22,27,29,31,33,40,43H,14,17-18,20H2,1-4H3,(H,44,45,46)/t22-,27+,29+,31+,33-,35+,36+,37+/m1/s1

InChIKey

InChIKey=ZKIDWWQMNXGYHV-BYJSBFAFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C(C)=C3)=CC5=C(C4)C=NN5C6=CC=CC=C6)([C@@H](O)C1)[H])[H])(C[C@@H](C)[C@@]2(C(COC(=O)C7=CC(S(=O)(=O)O)=CC=C7)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)C(C)CC2C3C=C(C4=CC5=C(C=NN5C=6C=CC=CC6)CC4(C)C3C(O)CC21C)C)C7=CC=CC(=C7)S(=O)(=O)O

Other Names for this Substance

  • 2′H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-2′-phenyl-21-[(3-sulfobenzoyl)oxy]-, (11β,16α)-
  • (11β,16α)-11,17-Dihydroxy-6,16-dimethyl-2′-phenyl-21-[(3-sulfobenzoyl)oxy]-2′H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one
  • Cortisuzol

Deleted or Replaced CAS Registry Numbers

748710-10-3

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