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Ursodeoxycholic acid, tri-TMS
SpectraBase Compound ID 8nPEicKU8YJ
InChI InChI=1S/C33H64O4Si3/c1-23(13-16-30(34)37-40(10,11)12)26-14-15-27-31-28(18-20-33(26,27)3)32(2)19-17-25(35-38(4,5)6)21-24(32)22-29(31)36-39(7,8)9/h23-29,31H,13-22H2,1-12H3
InChIKey TUMUEXLHVCPQOP-UHFFFAOYSA-N
Mol Weight 609.1 g/mol
Molecular Formula C33H64O4Si3
Exact Mass 608.41124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrrOJ9lUokt
Name Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3.alpha.,5.beta.,7.alpha.)-
CAS Registry Number 55320-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H64O4Si3
InChI InChI=1S/C33H64O4Si3/c1-23(13-16-30(34)37-40(10,11)12)26-14-15-27-31-28(18-20-33(26,27)3)32(2)19-17-25(35-38(4,5)6)21-24(32)22-29(31)36-39(7,8)9/h23-29,31H,13-22H2,1-12H3
InChIKey TUMUEXLHVCPQOP-UHFFFAOYSA-N
Molecular Weight 609.126 g/mol
SMILES C[Si](OC1C2C(C3(C(C1)CC(O[Si](C)(C)C)CC3)C)CCC1(C2CCC1C(CCC(O[Si](C)(C)C)=O)C)C)(C)C
SPLASH splash10-00b9-8940200000-3e14b5d36da96ebd95da
Source of Spectrum W-11-297-30
Synonyms Trimethylsilyl 3,7-bis[(trimethylsilyl)oxy]cholan-24-oate 4-[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid trimethylsilyl ester 4-[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid trimethylsilyl ester Trimethylsilyl 4-[10,13-dimethyl-3,7-bis(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Wiley ID 65358