(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-1,4-diene-3,20-dione

CAS Registry Number®

16978-57-7
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CAS Name

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-1,4-diene-3,20-dione

Molecular Formula

C29H33FO9S

Molecular Mass

576.63

Cite this Page

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-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=16978-57-7 (retrieved 2024-05-17) (CAS RN: 16978-57-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21+,22+,23+,26+,27+,28+,29+/m1/s1

InChIKey

InChIKey=TWQWRHIQRAZHPR-XNXCGYEVSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(=O)C5=CC(S(=O)(=O)O)=CC=C5)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)C5=CC=CC(=C5)S(=O)(=O)O)C4(C)CC(O)C32F)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-m-sulfobenzoate
  • (11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]pregna-1,4-diene-3,20-dione
  • Benzoic acid, m-sulfo-, 2-ester with 9-fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • Dexamethasone m-sulfobenzoate

Deleted or Replaced CAS Registry Numbers

107577-90-2, 38890-99-2

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