Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, monosodium salt, (11β,16β)-
CAS Registry Number®
94135-28-1
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CAS Name
Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, monosodium salt, (11β,16β)-Molecular Formula
C28H36O9.NaCite this Page
Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, monosodium salt, (11β,16β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94135-28-1 (retrieved ) (CAS RN: 94135-28-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H36O9.Na/c1-25(2)36-21-12-18-17-6-5-15-11-16(29)9-10-26(15,3)24(17)19(30)13-27(18,4)28(21,37-25)20(31)14-35-23(34)8-7-22(32)33;/h9-11,17-19,21,24,30H,5-8,12-14H2,1-4H3,(H,32,33);/t17-,18-,19-,21-,24+,26-,27-,28+;/m0./s1
InChIKey
InChIKey=PNFOQCZAKZEGNR-KSUVMJGNSA-N
SMILES
C(COC(CCC(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)COC(=O)CCC(=O)O)C4(C)CC(O)C32)(C)C)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, monosodium salt, (11β,16β)-
- 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
