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20-Carboxy-11-hydroxy-3-oxo-pregnane
SpectraBase Compound ID FGLj96BHyvY
InChI InChI=1S/C22H34O4/c1-12(20(25)26)16-6-7-17-15-5-4-13-10-14(23)8-9-21(13,2)19(15)18(24)11-22(16,17)3/h12-13,15-19,24H,4-11H2,1-3H3,(H,25,26)
InChIKey NCZFUIRADBGZAC-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9T8dDZI3Uv
Name 20-Carboxy-11-hydroxy-3-oxo-pregnane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-12(20(25)26)16-6-7-17-15-5-4-13-10-14(23)8-9-21(13,2)19(15)18(24)11-22(16,17)3/h12-13,15-19,24H,4-11H2,1-3H3,(H,25,26)
InChIKey NCZFUIRADBGZAC-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 362.510 g/mol
SMILES OC(C(C1C2(C(C3C(C(C2)O)C2(C(CC3)CC(CC2)=O)C)CC1)C)C)=O
SPLASH splash10-0c0s-5943000000-421175b8e7c09ee8f0d9
Source of Spectrum SRH-2022-10060-0
Wiley ID 1831689