Rofleponide

CAS Registry Number®

144459-70-1
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CAS Name

Rofleponide

Molecular Formula

C25H34F2O6

Molecular Mass

468.53

Cite this Page

Rofleponide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=144459-70-1 (retrieved 2024-04-18) (CAS RN: 144459-70-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34F2O6/c1-4-5-21-32-20-10-14-15-9-17(26)16-8-13(29)6-7-22(16,2)24(15,27)18(30)11-23(14,3)25(20,33-21)19(31)12-28/h8,14-15,17-18,20-21,28,30H,4-7,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21+,22-,23-,24-,25+/m0/s1

InChIKey

InChIKey=IXTCZMJQGGONPY-XJAYAHQCSA-N

SMILES

C(CO)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(O[C@@H](CCC)O2)[H])([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)CC5)[H])[H]

Canonical SMILES

O=C1C=C2C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C3(F)C2(C)CC1)CCC

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6α,11β,16α)-
  • Pregn-4-ene-3,20-dione, 16,17-[butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, [6α,11β,16α(R)]-
  • (6α,11β,16α)-16,17-[(1R)-Butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxypregn-4-ene-3,20-dione
  • 6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic (R)-16,17-acetal with butyraldehyde
  • Rofleponide

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Deleted or Replaced CAS Registry Numbers

162821-72-9

CAS INSIGHTSTM
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