3α,5β,7β-trihydroxy-5β-cholan-24-oic acid, TMS
- Formula: C36H72O5Si4
- Molecular weight: 697.2959
- IUPAC Standard InChI: InChI=1S/C36H72O5Si4/c1-26(16-19-32(37)40-44(10,11)12)28-17-18-29-33-30(21-22-34(28,29)2)35(3)23-20-27(38-42(4,5)6)24-36(35,41-45(13,14)15)25-31(33)39-43(7,8)9/h26-31,33H,16-25H2,1-15H3/t26?,27-,28?,29?,30?,31+,33?,34?,35?,36-/m0/s1
- IUPAC Standard InChIKey: MDBKTZNAHUOHSH-UBJCKJILSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 280. | 3347. | Iida, Hikasaka, et al., 2001 | 25. m/0.32 mm/0.25 μm, He |
| Capillary | 5 % Phenyl methyl siloxane | 280. | 3406. | Iida, Hikasaka, et al., 2001 | 25. m/0.32 mm/0.25 μm, He |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Iida, Hikasaka, et al., 2001
Iida, T.; Hikasaka, M.; Goto, J.; Nambara, T.,
Capillary gas chromatographic behaviour of tert.-hydroxylated steroids by trialkylsilylation,
J. Chromatogr. A, 2001, 937, 1-2, 97-105, https://doi.org/10.1016/S0021-9673(01)01305-X
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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