Methyl 7-α,12α-dihydroxy-3-keto-4-cholenoate, TMS
- Formula: C31H54O5Si2
- Molecular weight: 562.9285
- IUPAC Standard InChI: InChI=1S/C31H54O5Si2/c1-20(11-14-28(33)34-4)23-12-13-24-29-25(19-27(31(23,24)3)36-38(8,9)10)30(2)16-15-22(32)17-21(30)18-26(29)35-37(5,6)7/h17,20,23-27,29H,11-16,18-19H2,1-10H3/t20-,23-,24?,25?,26-,27+,29?,30+,31-/m0/s1
- IUPAC Standard InChIKey: ZMFJVSCTNSUNLT-CGPUBFPPSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 7-α,12-α-Dihydroxy-3-keto-4-cholenoic acid, MeTMS
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas Chromatography
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 3345. | Axelson, Ellis, et al., 2000 | 25. m/0.32 mm/0.17 μm, H2; Program: 50 0C (3 min) -> 185 0C 5 K/min -> 280 0C |
| Capillary | Methyl Silicone | 3346. | Meng, Reyes, et al., 1997 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C.,
Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid,
Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877
. [all data]
Meng, Reyes, et al., 1997
Meng, L.-J.; Reyes, H.; Palma, J.; Hernandez, I.; Ribalta, J.; Sjövall, J.,
Profiles of bile acids and progesterone metabolites in the urine and serum of women with intrahepatic cholestasis of pregnancy,
J. Hepatol., 1997, 27, 2, 346-357, https://doi.org/10.1016/S0168-8278(97)80181-X
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.