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3.beta.-Acetoxy-11-oxo-5.beta.(H)-8(9)-etienic-acid Methylester
SpectraBase Compound ID 2uZvDKUgWP5
InChI InChI=1S/C23H32O5/c1-13(24)28-15-9-10-22(2)14(11-15)5-6-16-17-7-8-18(21(26)27-4)23(17,3)12-19(25)20(16)22/h14-15,17-18H,5-12H2,1-4H3/t14-,15+,17+,18-,22+,23+/m1/s1
InChIKey PFMUVRXNWIKBRW-ZBPGRSMESA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FykcKNcPQ79
Name 3.beta.-Acetoxy-11-oxo-5.beta.(H)-8(9)-etienic-acid Methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-13(24)28-15-9-10-22(2)14(11-15)5-6-16-17-7-8-18(21(26)27-4)23(17,3)12-19(25)20(16)22/h14-15,17-18H,5-12H2,1-4H3/t14-,15+,17+,18-,22+,23+/m1/s1
InChIKey PFMUVRXNWIKBRW-ZBPGRSMESA-N
Molecular Weight 388.504 g/mol
SMILES C12=C([C@@]3(CC[C@@]([C@]3(CC2=O)C)(C(=O)OC)[H])[H])CC[C@]2([C@@]1(CC[C@](OC(=O)C)(C2)[H])C)[H]
SPLASH splash10-004r-0009000000-8dc0219b7aad935baf9b
Source of Spectrum H-70-927-86
Synonyms (3beta,5beta,17beta)-17-(methoxycarbonyl)-11-oxoandrost-8-en-3-yl acetate
Wiley ID 1363963