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Acetamide, N-[(3.beta.,5.alpha.,20R)-3,20-bis(acetyloxy)pregnan-18-yl]-
SpectraBase Compound ID FID01ij3yxl
InChI InChI=1S/C27H43NO5/c1-16(32-18(3)30)23-8-9-25-22-7-6-20-14-21(33-19(4)31)10-12-26(20,5)24(22)11-13-27(23,25)15-28-17(2)29/h16,20-25H,6-15H2,1-5H3,(H,28,29)/t16-,20-,21-,22+,23?,24-,25-,26-,27-/m0/s1
InChIKey JKVZBQRLPQNIHE-YMBMOLBMSA-N
Mol Weight 461.6 g/mol
Molecular Formula C27H43NO5
Exact Mass 461.314123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C690oQE7JCp
Name Acetamide, N-[(3.beta.,5.alpha.,20R)-3,20-bis(acetyloxy)pregnan-18-yl]-
CAS Registry Number 69063-89-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43NO5
InChI InChI=1S/C27H43NO5/c1-16(32-18(3)30)23-8-9-25-22-7-6-20-14-21(33-19(4)31)10-12-26(20,5)24(22)11-13-27(23,25)15-28-17(2)29/h16,20-25H,6-15H2,1-5H3,(H,28,29)/t16-,20-,21-,22+,23?,24-,25-,26-,27-/m0/s1
InChIKey JKVZBQRLPQNIHE-YMBMOLBMSA-N
Molecular Weight 461.643 g/mol
SMILES N(C(=O)C)C[C@]12[C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CCC1[C@@](OC(=O)C)(C)[H])[H]
SPLASH splash10-0a4l-9011100000-fece18305e5b3a773788
Source of Spectrum F-34-1533-0
Synonyms Pregnane, acetamide deriv. (3beta,5alpha,20S)-18-(acetylamino)-20-(acetyloxy)pregnan-3-yl acetate 3.beta., (20R)-diacetoxy-18-acetamido-5.alpha.-pregnane
Wiley ID 1390817