| SpectraBase Spectrum ID |
5BIyHAb0Izg |
| Name |
Chenodeoxycholic acid, tri-TMS |
| CAS Registry Number |
55320-14-4 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
608.411240142 u |
| Formula |
C33H64O4Si3 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| 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 |
| Nominal Mass |
608 u |
| Number of Peaks |
472 |
| SMILES |
C1(O[Si](C)(C)C)C2C(C3(C(C1)CC(CC3)O[Si](C)(C)C)C)CCC1(C2CCC1C(CCC(O[Si](C)(C)C)=O)C)C |
| SPLASH |
splash10-0a4i-3791110000-90756b32e9ce3336fce2 |
| Source |
Sigma |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Synonyms |
3a,7a-Dihydroxycholan-24-oic acid, tri-TMS |
| Wiley ID |
VI000667 |
