Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt

CAS Registry Number®

33903-70-7

CAS Name

Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt

Molecular Formula

C21H27O8P.2Na

Cite this Page

Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33903-70-7 (retrieved 2024-10-07) (CAS RN: 33903-70-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H27O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-15,18,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/t14-,15-,18+,19-,20-,21-;;/m0../s1

InChIKey

InChIKey=WQPCNFDUTSMBCP-PWEPTXNASA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C(=O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COP(=O)(O)O)=O)O)[H].[Na]

Canonical SMILES

[Na].O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COP(=O)(O)O)C

Other Names for this Substance

  • Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt
  • Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-, 21-(dihydrogen phosphate), disodium salt

CAS INSIGHTSTM
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