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Carbamic acid, [(3.beta.,5.alpha.,20S)-3-(acetyloxy)pregnan-20-yl]-, ethyl ester
SpectraBase Compound ID 5Jxizqbp9VB
InChI InChI=1S/C26H43NO4/c1-6-30-24(29)27-16(2)21-9-10-22-20-8-7-18-15-19(31-17(3)28)11-13-25(18,4)23(20)12-14-26(21,22)5/h16,18-23H,6-15H2,1-5H3,(H,27,29)/t16-,18-,19-,20?,21+,22?,23?,25-,26+/m0/s1
InChIKey RHZCVCGNJRYPOM-QECXIBGESA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zCOCfysgd3
Name Carbamic acid, [(3.beta.,5.alpha.,20S)-3-(acetyloxy)pregnan-20-yl]-, ethyl ester
Alternate Name(s) Pregnane, carbamic acid deriv. (20S)-20-ethoxycarbonylamino-5.alpha.-pregnan-3.beta.-yl acetate (3beta,5alpha,20S)-20-[(ethoxycarbonyl)amino]pregnan-3-yl acetate
CAS Registry Number 120563-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-6-30-24(29)27-16(2)21-9-10-22-20-8-7-18-15-19(31-17(3)28)11-13-25(18,4)23(20)12-14-26(21,22)5/h16,18-23H,6-15H2,1-5H3,(H,27,29)/t16-,18-,19-,20?,21+,22?,23?,25-,26+/m0/s1
InChIKey RHZCVCGNJRYPOM-QECXIBGESA-N
Molecular Weight 433.633 g/mol
SMILES N(C(=O)OCC)[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(C)[H]
SPLASH splash10-052f-0039000000-15f3e79cd22c301c55b3
Source of Spectrum KC-1988-3262-32
Wiley ID 1382713