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3-beta-Hydroxy-3-deoxocanrenone (3-bet-trimethylsilyloxy,17-beta-dihydroxy-17alpha-pregna-4,6-diene-21-carboxylic acid-gamma-lactone)
SpectraBase Compound ID K2VT0rsqzoA
InChI InChI=1S/C25H38O3Si/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/h6-7,16,18-21H,8-15H2,1-5H3/t18-,19?,20?,21?,23?,24?,25+/m0/s1
InChIKey PFSJCAIRFLABJE-KJGKYAIDSA-N
Mol Weight 414.7 g/mol
Molecular Formula C25H38O3Si
Exact Mass 414.259022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdtVblRX7o4
Name 3-beta-Hydroxy-3-deoxocanrenone (3-bet-trimethylsilyloxy,17-beta-dihydroxy-17alpha-pregna-4,6-diene-21-carboxylic acid-gamma-lactone)
CAS Registry Number 70284-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O3Si
InChI InChI=1S/C25H38O3Si/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/h6-7,16,18-21H,8-15H2,1-5H3/t18-,19?,20?,21?,23?,24?,25+/m0/s1
InChIKey PFSJCAIRFLABJE-KJGKYAIDSA-N
Molecular Weight 414.661 g/mol
SMILES C12(C(C=CC3C2CCC2([C@@]4(OC(=O)CC4)CCC32)C)=C[C@](CC1)(O[Si](C)(C)C)[H])C
SPLASH splash10-03xr-0901800000-bedfeb3d611a84c13560
Source of Spectrum O-14-444-1c-TMS
Wiley ID 1375574