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3.beta.-Hydroxypregn-5-ene-7,20-dione - 7-[O-methoxycarbonyl]oxime
SpectraBase Compound ID 5ho5bmVVCec
InChI InChI=1S/C23H33NO5/c1-13(25)16-5-6-17-20-18(8-10-23(16,17)3)22(2)9-7-15(26)11-14(22)12-19(20)24-29-21(27)28-4/h12,15-18,20,26H,5-11H2,1-4H3/b24-19-/t15-,16+,17-,18-,20-,22-,23+/m0/s1
InChIKey RJDYBISCXZYKGA-LNNBWSNYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C23H33NO5
Exact Mass 403.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7L4iovRmjbz
Name 3.beta.-Hydroxypregn-5-ene-7,20-dione - 7-[O-methoxycarbonyl]oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO5
InChI InChI=1S/C23H33NO5/c1-13(25)16-5-6-17-20-18(8-10-23(16,17)3)22(2)9-7-15(26)11-14(22)12-19(20)24-29-21(27)28-4/h12,15-18,20,26H,5-11H2,1-4H3/b24-19-/t15-,16+,17-,18-,20-,22-,23+/m0/s1
InChIKey RJDYBISCXZYKGA-LNNBWSNYSA-N
Molecular Weight 403.519 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(\C(C=C2C1)=N/OC(=O)OC)[H])(CC[C@@]4(C(=O)C)[H])[H])C)[H])C)[H]
SPLASH splash10-03du-6829300000-fae652f209ca27e97abb
Source of Spectrum G-61-411-13
Synonyms (3beta)-3-hydroxy-7-{[(methoxycarbonyl)oxy]imino}-20-oxopregn-5-ene
Wiley ID 749007