Cholanic acid, 3β,12β-dihydroxy, Me-DMES
- Formula: C33H62O4Si2
- Molecular weight: 579.0140
- IUPAC Standard InChI: InChI=1S/C33H62O4Si2/c1-11-38(7,8)36-25-19-20-32(4)24(21-25)14-15-26-28-17-16-27(23(3)13-18-31(34)35-6)33(28,5)30(22-29(26)32)37-39(9,10)12-2/h23-30H,11-22H2,1-10H3/t23-,24-,25+,26+,27-,28+,29+,30-,32+,33-/m0/s1
- IUPAC Standard InChIKey: LNGHMHTXKIMWLA-IRRJLNMXSA-N
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- allo-Cholanic acid, 3α,12α-dihydroxy, Me-DMES
- allo-Cholanic acid, 3α,12β-dihydroxy, Me-DMES
- allo-Cholanic acid, 3β,12α-dihydroxy, Me-DMES
- allo-Cholanic acid, 3β,12β-dihydroxy, Me-DMES
- Cholanic acid, 3α,12α-dihydroxy, Me-DMES
- Cholanic acid, 3α,12β-dihydroxy, Me-DMES
- Cholanic acid, 3β,12α-dihydroxy, Me-DMES
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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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 3422. | Iida, Momose, et al., 1987 | 18. m/0.20 mm/0.25 μm, He; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 3729. | Iida, Momose, et al., 1987 | 15. m/0.25 mm/0.25 μm, He; 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.
Iida, Momose, et al., 1987
Iida, T.; Momose, T.; Tamura, T.; Matsumoto, T.; Goto, J.; Nambara, T.; Chang, F.C.,
Capillary gas chromatography of hydroxylated bile acid stereoisomers of the allo and normal series,
J. Chromatogr., 1987, 389, 155-164, https://doi.org/10.1016/S0021-9673(01)94419-X
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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