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Pregn-5-en-20-one, 1,3-dihydroxy-, cyclic 1,2-ethanediyl acetal, (1.alpha.,3.beta.)-
SpectraBase Compound ID F9McTmp0S8c
InChI InChI=1S/C23H36O4/c1-21-9-8-18-16(5-4-14-12-15(24)13-20(25)22(14,18)2)17(21)6-7-19(21)23(3)26-10-11-27-23/h4,15-20,24-25H,5-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey LHJOFUPLVYZXBG-NOECQHEYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lwg4iDbaU6i
Name Pregn-5-en-20-one, 1,3-dihydroxy-, cyclic 1,2-ethanediyl acetal, (1.alpha.,3.beta.)-
Alternate Name(s) (1alpha,3beta,17beta)-17-(2-methyl-1,3-dioxolan-2-yl)androst-5-ene-1,3-diol 20,20-Ethylendioxy-5-pregnen-1.alpha.,3.beta.-diol
CAS Registry Number 54021-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-21-9-8-18-16(5-4-14-12-15(24)13-20(25)22(14,18)2)17(21)6-7-19(21)23(3)26-10-11-27-23/h4,15-20,24-25H,5-13H2,1-3H3/t15-,16+,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey LHJOFUPLVYZXBG-NOECQHEYSA-N
Molecular Weight 376.537 g/mol
SMILES O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])(C1(OCCO1)C)[H])C)[H])C)(O)[H])[H]
SPLASH splash10-000i-9000000000-018b89b17c32274c30f6
Source of Spectrum H-64-1888-0
Wiley ID 1357962