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Pregnan-12-one, 20-hydroxy-, cyclic 1,2-ethanediyl acetal
SpectraBase Compound ID CFKxDXA1Fkl
InChI InChI=1S/C23H38O3/c1-15(24)18-9-10-19-17-8-7-16-6-4-5-11-21(16,2)20(17)14-23(22(18,19)3)25-12-13-26-23/h15-20,24H,4-14H2,1-3H3/t15?,16-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey NZNNONKDTXNEOF-URLGMXSRSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6Ft8R5MUYZ
Name Pregnan-12-one, 20-hydroxy-, cyclic 1,2-ethanediyl acetal
Alternate Name(s) (2oR)-epimer of 20-hydroxy-5.alpha.-pregnan-12-one ethylene acetal 1-[(1'S,2'S,7'R,10'R,11'S,14'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,16'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-14'-yl]ethan-1-ol 20-Hydroxy-5.alpha.-pregnan-12-one ethylene acetal 5.alpha.-pregnan-12-one, 20.beta.-hydroxy-, cyclic ethylene acetal Spiro[12H-cyclopenta[a]phenanthrene-12,2'-[1,3]dioxolane], pregnan-12-one deriv.
CAS Registry Number 7738-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-15(24)18-9-10-19-17-8-7-16-6-4-5-11-21(16,2)20(17)14-23(22(18,19)3)25-12-13-26-23/h15-20,24H,4-14H2,1-3H3/t15?,16-,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey NZNNONKDTXNEOF-URLGMXSRSA-N
Molecular Weight 362.554 g/mol
SMILES OC([C@@]1([C@]2(C3(C[C@]4([C@](CC[C@@]5([C@]4(C)CCCC5)[H])([H])[C@@]2(CC1)[H])[H])OCCO3)C)[H])C
SPLASH splash10-06r2-8596000000-4096462d0b48a059c1f6
Source of Spectrum AN-92-161-0
Wiley ID 1349981