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4.alpha.-carbomethoxy-4.beta.-methyl-18-nor-5.alpha.-pregna-8,11,13-trien-20-one
SpectraBase Compound ID BI8zi2hFYWe
InChI InChI=1S/C23H30O3/c1-14(24)15-6-7-17-16(15)8-10-19-18(17)9-11-20-22(19,2)12-5-13-23(20,3)21(25)26-4/h8,10,15,20H,5-7,9,11-13H2,1-4H3/t15-,20-,22-,23-/m1/s1
InChIKey XTSCWRFQTCCPMD-RPRCKKEOSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rjdDD29RV3
Name 4.alpha.-carbomethoxy-4.beta.-methyl-18-nor-5.alpha.-pregna-8,11,13-trien-20-one
CAS Registry Number 114958-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-14(24)15-6-7-17-16(15)8-10-19-18(17)9-11-20-22(19,2)12-5-13-23(20,3)21(25)26-4/h8,10,15,20H,5-7,9,11-13H2,1-4H3/t15-,20-,22-,23-/m1/s1
InChIKey XTSCWRFQTCCPMD-RPRCKKEOSA-N
Molecular Weight 354.490 g/mol
SMILES [C@@]12(c3c(c4CC[C@@](c4cc3)(C(=O)C)[H])CC[C@]2([C@@](C(=O)OC)(C)CCC1)[H])C
SPLASH splash10-0006-9002000000-ea98f250ef43862debac
Source of Spectrum J-53-3765-13
Synonyms Methyl (4alpha,5alpha,17beta)-17-acetyl-4,10-dimethylgona-8,11,13-triene-4-carboxylate
Wiley ID 1344953