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Androstane-1,3-diol, (1.beta.,3.alpha.,5.beta.)-, 2tms derivative

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Androstane-1,3-diol, (1.beta.,3.alpha.,5.beta.)-, 2tms derivative
SpectraBase Compound ID 7MLERgTaFKv
InChI InChI=1S/C25H48O2Si2/c1-24-14-9-10-21(24)20-12-11-18-16-19(26-28(3,4)5)17-23(27-29(6,7)8)25(18,2)22(20)13-15-24/h18-23H,9-17H2,1-8H3/t18-,19+,20+,21+,22+,23-,24+,25+/m1/s1
InChIKey RWHMJAKGTFLZID-IUUDLSTISA-N
Mol Weight 436.8 g/mol
Molecular Formula C25H48O2Si2
Exact Mass 436.319284 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAlWfcVVRAm
Name Androstane-1,3-diol, (1.beta.,3.alpha.,5.beta.)-, 2tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.319283854 u
Formula C25H48O2Si2
InChI InChI=1S/C25H48O2Si2/c1-24-14-9-10-21(24)20-12-11-18-16-19(26-28(3,4)5)17-23(27-29(6,7)8)25(18,2)22(20)13-15-24/h18-23H,9-17H2,1-8H3/t18-,19+,20+,21+,22+,23-,24+,25+/m1/s1
InChIKey RWHMJAKGTFLZID-IUUDLSTISA-N
Molecular Weight 436.827 g/mol
SMILES [C@@]1(C[C@]([C@]2([C@@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2)[H])C)[H])[H])[H])C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]