Pregn-4-ene-3,20-dione, 21,21′-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, sodium salt (1:1), (11β)-(11′β)-

CAS Registry Number®

315-33-3

CAS Name

Pregn-4-ene-3,20-dione, 21,21′-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, sodium salt (1:1), (11β)-(11′β)-

Molecular Formula

C42H59O12P.Na

Cite this Page

Pregn-4-ene-3,20-dione, 21,21′-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, sodium salt (1:1), (11β)-(11′β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=315-33-3 (retrieved 2024-09-28) (CAS RN: 315-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H59O12P.Na/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4;/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52);/t27-,28-,29-,30-,31-,32-,35+,36+,37-,38-,39-,40-,41-,42-;/m0./s1

InChIKey

InChIKey=AFLXEOKWBFPZDR-SFDAJULSSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@]2(C(COP(OCC(=O)[C@]5(O)[C@]6(C)[C@@](CC5)([C@]7([C@]([C@@H](O)C6)([C@]8(C)C(CC7)=CC(=O)CC8)[H])[H])[H])(=O)O)=O)O)[H].[Na]

Canonical SMILES

[Na].O=C1C=C2CCC3C4CCC(O)(C(=O)COP(=O)(O)OCC(=O)C5(O)CCC6C7CCC8=CC(=O)CCC8(C)C7C(O)CC65C)C4(C)CC(O)C3C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21,21′-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, sodium salt (1:1), (11β)-(11′β)-
  • Cortisol, 21,21′-(hydrogen phosphate), monosodium salt
  • Pregn-4-ene-3,20-dione, 21,21′-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, monosodium salt, (11β)-
  • Cortisol, 21,21′-(hydrogen phosphate), sodium salt
  • Cortisol, 21,21′-phosphate, sodium salt

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