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Megestrol acetate
SpectraBase Compound ID 69fi1Lk1yq7
InChI InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
InChIKey RQZAXGRLVPAYTJ-GQFGMJRRSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXbgL8TMYGu
Name Megestrol acetate
CAS Registry Number 595-33-5
Classification Pharmaceutical drug, progestational steroid
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1
InChIKey RQZAXGRLVPAYTJ-GQFGMJRRSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 384.516 g/mol
Nominal Mass 384 u
Quality 900
Retention Index 3130
SMILES [C@]12([C@]3([C@@]([C@@]4(C(C(=C3)C)=CC(CC4)=O)C)(CC[C@@]2([C@](CC1)(C(=O)C)OC(=O)C)C)[H])[H])[H]
SPLASH splash10-001l-6590000000-10bc8d4e11dcd462f2a5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 17-Acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren\r-17-yl] acetate 6-Methyl-3,20-dioxopregna-4,6-dien-17alpha-yl acetate
Technique GC/MS
Wiley ID DD2024_029948