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Pregn-5-en-20-one, 3-(1,1-dimethylethoxy)-, (3.beta.)-
SpectraBase Compound ID 3jgg2fBArsM
InChI InChI=1S/C25H40O2/c1-16(26)20-9-10-21-19-8-7-17-15-18(27-23(2,3)4)11-13-24(17,5)22(19)12-14-25(20,21)6/h7,18-22H,8-15H2,1-6H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1
InChIKey WMBSGUHXUZAFHO-SNHSOGDCSA-N
Mol Weight 372.6 g/mol
Molecular Formula C25H40O2
Exact Mass 372.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03PBb8mUeu
Name Pregn-5-en-20-one, 3-(1,1-dimethylethoxy)-, (3.beta.)-
CAS Registry Number 62623-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O2
InChI InChI=1S/C25H40O2/c1-16(26)20-9-10-21-19-8-7-17-15-18(27-23(2,3)4)11-13-24(17,5)22(19)12-14-25(20,21)6/h7,18-22H,8-15H2,1-6H3/t18-,19-,20+,21-,22-,24-,25+/m0/s1
InChIKey WMBSGUHXUZAFHO-SNHSOGDCSA-N
Molecular Weight 372.593 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C)(C)C)(C4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0ab9-7059000000-b65db58bf46e439966ed
Source of Spectrum C-99-1541-0
Synonyms (3beta)-3-tert-butoxypregn-5-en-20-one 3.beta.-tert-butoxypregn-5-en-20-one
Wiley ID 1355862