3α,7β,17α-trihydroxy-5β-cholan-24-oic acid, DMESI
- Formula: C40H80O5Si4
- Molecular weight: 753.4022
- IUPAC Standard InChI: InChI=1S/C40H80O5Si4/c1-16-46(8,9)42-32-22-25-38(6)31(28-32)29-35(43-47(10,11)17-2)37-33(38)23-26-39(7)34(37)24-27-40(39,45-49(14,15)19-4)30(5)20-21-36(41)44-48(12,13)18-3/h30-35,37H,16-29H2,1-15H3/t30?,31?,32-,33?,34?,35+,37?,38?,39?,40+/m0/s1
- IUPAC Standard InChIKey: OBJAMDYRFFJLHC-GAFRAGQESA-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. | 3620. | 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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