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Epipregnanolone acetate
SpectraBase Compound ID 5TCG48ZkWx1
InChI InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey GFHOQCXDABGYAL-AOUZBUNXSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DqOCPSAzwf
Name 5.BETA.-PREGNAN-20-ONE, 3.BETA.-HYDROXY-, ACETATE
CAS Registry Number 2394-44-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 360.266445016 u
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey GFHOQCXDABGYAL-AOUZBUNXSA-N
Molecular Weight 360.538 g/mol
Nominal Mass 360 u
Number of Peaks 192
SMILES [C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(C(C)=O)[H])C)[H])C)(OC(C)=O)[H]
SPLASH splash10-0006-9621000000-2f1394af1dabd676bb0f
Source File Reference LMCM-12401-434D
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms 20-OXOPREGNAN-3-YL ACETATE (1S,2S,5S,7R,10R,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate
Wiley ID 8_30194