Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-
CAS Registry Number®
94087-98-6
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CAS Name
Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-Molecular Formula
C24H33O9P.2NaCite this Page
Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94087-98-6 (retrieved ) (CAS RN: 94087-98-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H33O9P.2Na/c1-21(2)32-19-10-16-15-6-5-13-9-14(25)7-8-22(13,3)20(15)17(26)11-23(16,4)24(19,33-21)18(27)12-31-34(28,29)30;;/h7-9,15-17,19-20,26H,5-6,10-12H2,1-4H3,(H2,28,29,30);;/t15-,16-,17-,19+,20+,22-,23-,24+;;/m0../s1
InChIKey
InChIKey=IJQFMTQZFGKDGK-PXQDNWDYSA-N
SMILES
C(COP(=O)(O)O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H].[Na]
Canonical SMILES
[Na].O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COP(=O)(O)O)C4(C)CC(O)C32)(C)C)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(phosphonooxy)-, disodium salt, (11β,16α)-
- 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
