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Melengestrol acetate
SpectraBase Compound ID F2tQhW2rwYf
InChI InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
InChIKey UDKABVSQKJNZBH-DWNQPYOZSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I9tWD6aCqO
Name Melengestrol acetate
CAS Registry Number 2919-66-6
Classification Glucocorticoide, growth promoter
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1
InChIKey UDKABVSQKJNZBH-DWNQPYOZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 396.527 g/mol
Nominal Mass 396 u
Quality 910
Retention Index 3080
SMILES [C@]12([C@]3([C@@]([C@@]4(C(C(=C3)C)=CC(CC4)=O)C)(CC[C@@]2([C@@](C(C1)=C)(OC(=O)C)C(=O)C)C)[H])[H])[H]
SPLASH splash10-0006-5922000000-23bbf0f092852cf48a57
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (17-Acetyl-6,10,13-trimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta-\r[a]phenanthren-17-yl)acetate
Technique GC/MS
Wiley ID DD2024_011808