| SpectraBase Compound ID | KONbuBuLKcE |
|---|---|
| InChI | InChI=1S/C26H43NO8S.Na/c1-14(4-7-21(30)27-10-11-36(33,34)35)16-5-6-17-22-18(13-20(29)26(16,17)3)25(2)9-8-15(28)12-19(25)23(31)24(22)32;/h4,7,14-20,22-24,28-29,31-32H,5-6,8-13H2,1-3H3,(H,27,30)(H,33,34,35);/q;+1/p-1/b7-4+;/t14-,15-,16-,17+,18+,19+,20+,22+,23-,24+,25-,26-;/m1./s1 |
| InChIKey | ZBPNBAUQLCGRBI-FZAQIRHVSA-M |
| Mol Weight | 551.7 g/mol |
| Molecular Formula | C26H42NNaO8S |
| Exact Mass | 551.252883 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 | GjniEgC2qKy |
|---|---|
| Name | (22E)-3-ALPHA,6-ALPHA,7-ALPHA,12-ALPHA-TETRAHYDROXY-5-BETA-CHOL-22-EN-24-OYL-TAURINE-SODIUM-SALT |
| Compound Number | 1C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H42NNaO8S |
| InChI | InChI=1S/C26H43NO8S.Na/c1-14(4-7-21(30)27-10-11-36(33,34)35)16-5-6-17-22-18(13-20(29)26(16,17)3)25(2)9-8-15(28)12-19(25)23(31)24(22)32;/h4,7,14-20,22-24,28-29,31-32H,5-6,8-13H2,1-3H3,(H,27,30)(H,33,34,35);/q;+1/p-1/b7-4+;/t14-,15-,16-,17+,18+,19+,20+,22+,23-,24+,25-,26-;/m1./s1 |
| InChIKey | ZBPNBAUQLCGRBI-FZAQIRHVSA-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 | 551.671 g/mol |
| Source File Reference | UWBT3743 |