| SpectraBase Compound ID | FSstcbuI3rV |
|---|---|
| InChI | InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16?,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1 |
| InChIKey | GHCZAUBVMUEKKP-BABIWEJYSA-N |
| Mol Weight | 449.6 g/mol |
| Molecular Formula | C26H43NO5 |
| Exact Mass | 449.314123 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lnj0tbmmSSy |
|---|---|
| Name | Glycochenodeoxycholic acid |
| Alternate Name(s) | 2-[[(4R)-4-[(3R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanoic acid 2-[[(4R)-4-[(3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]acetic acid 2-[[(4R)-4-[(3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H43NO5 |
| InChI | InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16?,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1 |
| InChIKey | GHCZAUBVMUEKKP-BABIWEJYSA-N |
| Molecular Weight | 449.632 g/mol |
| SMILES | O[C@@]1(CC[C@]2(C(C[C@]([C@]3([C@]4([C@@]([C@@]([C@@](CCC(NCC(=O)O)=O)(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])(O)[H])C1)C)[H] |
| SPLASH | splash10-02u1-4942100000-f018070573b0d68a7ef9 |
| Source of Spectrum | BS-5-74-0 |
| Wiley ID | 1387482 |