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3.beta.-Acetoxy-19-hydroxypregna-5,14-dien-20-one
SpectraBase Compound ID 4E6ajBdStvr
InChI InChI=1S/C23H32O4/c1-14(25)19-6-7-20-18-5-4-16-12-17(27-15(2)26)8-11-23(16,13-24)21(18)9-10-22(19,20)3/h4,7,17-19,21,24H,5-6,8-13H2,1-3H3/t17-,18-,19+,21-,22+,23+/m0/s1
InChIKey AHBLIJTWPKJOJF-XCSKXHBKSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FduWfySk2hP
Name 3.beta.-Acetoxy-19-hydroxypregna-5,14-dien-20-one
Alternate Name(s) (3beta)-19-hydroxy-20-oxopregna-5,14-dien-3-yl acetate
CAS Registry Number 67270-89-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14(25)19-6-7-20-18-5-4-16-12-17(27-15(2)26)8-11-23(16,13-24)21(18)9-10-22(19,20)3/h4,7,17-19,21,24H,5-6,8-13H2,1-3H3/t17-,18-,19+,21-,22+,23+/m0/s1
InChIKey AHBLIJTWPKJOJF-XCSKXHBKSA-N
Molecular Weight 372.505 g/mol
SMILES OC[C@]12[C@@]3([C@](C=4[C@@]([C@@](C(=O)C)(CC4)[H])(CC3)C)(CC=C2C[C@@](OC(=O)C)(CC1)[H])[H])[H]
SPLASH splash10-01q9-0096000000-256bc8b19ce3acda0a27
Source of Spectrum J-43-3948-0
Wiley ID 1355723