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6,7-Dihydro-3-beta-trimethylsilyloxy-3-deoxocanrenone (3beta,17beta-dihydroxy-17alpha -pregn-4-ene-21-carboxylic acid-gamma-actone)

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6,7-Dihydro-3-beta-trimethylsilyloxy-3-deoxocanrenone (3beta,17beta-dihydroxy-17alpha -pregn-4-ene-21-carboxylic acid-gamma-actone)
SpectraBase Compound ID DKuk9mKJhRt
InChI InChI=1S/C25H40O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h16,18-21H,6-15H2,1-5H3/t18-,19?,20?,21?,23?,24?,25+/m0/s1
InChIKey JDZCPHHAZFBARW-KJGKYAIDSA-N
Mol Weight 416.7 g/mol
Molecular Formula C25H40O3Si
Exact Mass 416.274672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mrpacVlALP
Name 6,7-Dihydro-3-beta-trimethylsilyloxy-3-deoxocanrenone (3beta,17BETA-dihydroxy-17ALPHA -pregn-4-ene-21-carboxylic acid-gamma-actone)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.274671680 u
Formula C25H40O3Si
InChI InChI=1S/C25H40O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h16,18-21H,6-15H2,1-5H3/t18-,19?,20?,21?,23?,24?,25+/m0/s1
InChIKey JDZCPHHAZFBARW-KJGKYAIDSA-N
Molecular Weight 416.677 g/mol
SMILES C12([C@@]3(OC(=O)CC3)CCC1C1CCC=3C(C1CC2)(CC[C@@](O[Si](C)(C)C)([H])C3)C)C