2,21-Dihydroxypregna-1,4-diene-3,20-dione - 20-ethylene Ketal - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	1VHOus1CILq
InChI	InChI=1S/C23H32O5/c1-21-8-7-17-15(4-3-14-11-18(25)19(26)12-22(14,17)2)16(21)5-6-20(21)23(13-24)27-9-10-28-23/h11-12,15-17,20,24,26H,3-10,13H2,1-2H3/t15-,16-,17-,20-,21-,22-/m0/s1
InChIKey	KTRPDEAPPWKTTE-WSEGHWGGSA-N Google Search
Mol Weight	388.5 g/mol
Molecular Formula	C23H32O5
Exact Mass	388.224974 g/mol

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SpectraBase Spectrum ID	6QUcURRWkGz
Name	2,21-Dihydroxypregna-1,4-diene-3,20-dione - 20-ethylene Ketal
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H32O5
InChI	InChI=1S/C23H32O5/c1-21-8-7-17-15(4-3-14-11-18(25)19(26)12-22(14,17)2)16(21)5-6-20(21)23(13-24)27-9-10-28-23/h11-12,15-17,20,24,26H,3-10,13H2,1-2H3/t15-,16-,17-,20-,21-,22-/m0/s1
InChIKey	KTRPDEAPPWKTTE-WSEGHWGGSA-N
Molecular Weight	388.504 g/mol
SMILES	OC=1C(C=C2[C@@]([C@]3(CC[C@@]4([C@@](C5(CO)OCCO5)(CC[C@]4([C@@]3(CC2)[H])[H])[H])C)[H])(C1)C)=O
SPLASH	splash10-0a4i-0009000000-d88f032439fe951f6d40
Source of Spectrum	D8-330-121-8
Synonyms	(17beta)-2-hydroxy-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]androsta-1,4-dien-3-one
Wiley ID	1516408