| SpectraBase Spectrum ID |
K4HweODk2QE |
| Name |
Cholic acid, tetra-TMS |
| 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 |
696.445681553 u |
| Formula |
C36H72O5Si4 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C36H72O5Si4/c1-25(16-19-33(37)41-45(13,14)15)28-17-18-29-34-30(24-32(36(28,29)3)40-44(10,11)12)35(2)21-20-27(38-42(4,5)6)22-26(35)23-31(34)39-43(7,8)9/h25-32,34H,16-24H2,1-15H3 |
| InChIKey |
FUBDSUQXLCQNJD-UHFFFAOYSA-N |
| Molecular Weight |
697.307 g/mol |
| Nominal Mass |
696 u |
| Number of Peaks |
533 |
| SMILES |
C1(O[Si](C)(C)C)C2C3C(C)(C(C(CCC(O[Si](C)(C)C)=O)C)CC3)C(CC2C2(C(C1)CC(O[Si](C)(C)C)CC2)C)O[Si](C)(C)C |
| SPLASH |
splash10-0ufu-3894310000-d1747037b6957364743c |
| Source |
Sigma; human urine |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000668 |
