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3,3-Ethylenedioxy-5.beta.-androstan-17.beta.-yl acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3,3-Ethylenedioxy-5.beta.-androstan-17.beta.-yl acetate
SpectraBase Compound ID JRuTPFoGRk0
InChI InChI=1S/C23H36O4/c1-15(24)27-20-7-6-18-17-5-4-16-14-23(25-12-13-26-23)11-10-21(16,2)19(17)8-9-22(18,20)3/h16-20H,4-14H2,1-3H3/t16-,17?,18?,19?,20+,21+,22+/m1/s1
InChIKey GSSIBIORSPCRIO-VEYOIHGOSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMQmmds4r5j
Name 3,3-Ethylenedioxy-5.beta.-androstan-17.beta.-yl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-15(24)27-20-7-6-18-17-5-4-16-14-23(25-12-13-26-23)11-10-21(16,2)19(17)8-9-22(18,20)3/h16-20H,4-14H2,1-3H3/t16-,17?,18?,19?,20+,21+,22+/m1/s1
InChIKey GSSIBIORSPCRIO-VEYOIHGOSA-N
Molecular Weight 376.537 g/mol
SMILES [C@@]12(C(C3CC[C@]4([C@@](C3CC2)(CCC2(OCCO2)C4)C)[H])CC[C@@]1(OC(=O)C)[H])C