| SpectraBase Compound ID | AST0U5tGLmr |
|---|---|
| InChI | InChI=1S/C26H41NO7.Na/c1-13(4-7-20(30)27-12-21(31)32)15-5-6-16-22-17(11-19(29)26(15,16)3)25(2)9-8-14(28)10-18(25)23(33)24(22)34;/h4,7,13-19,22-24,28-29,33-34H,5-6,8-12H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/b7-4+;/t13-,14-,15-,16+,17+,18+,19+,22+,23-,24+,25-,26-;/m1./s1 |
| InChIKey | JANLUTBVVBAODV-BLXGVYCNSA-M |
| Mol Weight | 501.6 g/mol |
| Molecular Formula | C26H40NNaO7 |
| Exact Mass | 501.270247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5fUBpvDXX7D |
|---|---|
| Name | (22E)-3-ALPHA,6-ALPHA,7-ALPHA,12-ALPHA-TETRAHYDROXY-5-BETA-CHOL-22-EN-24-OYL-GLYCINE-SODIUM-SALT |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40NNaO7 |
| InChI | InChI=1S/C26H41NO7.Na/c1-13(4-7-20(30)27-12-21(31)32)15-5-6-16-22-17(11-19(29)26(15,16)3)25(2)9-8-14(28)10-18(25)23(33)24(22)34;/h4,7,13-19,22-24,28-29,33-34H,5-6,8-12H2,1-3H3,(H,27,30)(H,31,32);/q;+1/p-1/b7-4+;/t13-,14-,15-,16+,17+,18+,19+,22+,23-,24+,25-,26-;/m1./s1 |
| InChIKey | JANLUTBVVBAODV-BLXGVYCNSA-M |
| Literature Reference Author | S.OGAWA,Y.ADACHI,G.KAKIYAMA,M.SHIMADA,N.MANO,,J.GOTO,T.IIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1103(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1103 |
| Molecular Weight | 501.596 g/mol |
| Source File Reference | UWBT3742 |