Saffan

CAS Registry Number®

8067-82-1
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CAS Name

Saffan

Molecular Formula

C23H34O5.C21H32O3

Cite this Page

Saffan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=8067-82-1 (retrieved 2024-04-20) (CAS RN: 8067-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H34O5.C21H32O3/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3;1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h14-18,21,25H,4-12H2,1-3H3;13-17,19,23H,4-11H2,1-3H3/t14-,15+,16-,17-,18+,21+,22-,23-;13-,14+,15-,16+,17-,19+,20-,21+/m00/s1

InChIKey

InChIKey=YYPNLXNMXQFMHG-GSEHKNNPSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(COC(C)=O)=O)CC4)[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H].C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(C)=O)CC4)[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C)C.O=C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C

Other Names for this Substance

  • Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3α,5α)-, mixt. with (3α,5α)-3-hydroxypregnane-11,20-dione
  • CT 1341
  • Althesin
  • Alfatesin
  • Alfathesin

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