| SpectraBase Compound ID | LTGysOPb7J5 |
|---|---|
| InChI | InChI=1S/C29H48O4S.Na/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(33-34(30,31)32)12-14-28(22,6)27(24)13-15-29(25,26)7;/h8,16,18,20-21,23-27H,9-15,17H2,1-7H3,(H,30,31,32);/q;+1/p-1/b19-16+;/t20-,21+,23+,24+,25-,26+,27+,28+,29-;/m1./s1 |
| InChIKey | CTWSXXRKPADJDN-LELIJALZSA-M |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C29H47NaO4S |
| Exact Mass | 514.309275 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 | 6WngNxtoeHw |
|---|---|
| Name | HYMENOSULPHATE;(VITAMIN-D-DERIVATIVE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H47NaO4S |
| InChI | InChI=1S/C29H48O4S.Na/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(33-34(30,31)32)12-14-28(22,6)27(24)13-15-29(25,26)7;/h8,16,18,20-21,23-27H,9-15,17H2,1-7H3,(H,30,31,32);/q;+1/p-1/b19-16+;/t20-,21+,23+,24+,25-,26+,27+,28+,29-;/m1./s1 |
| InChIKey | CTWSXXRKPADJDN-LELIJALZSA-M |
| Literature Reference Author | J.KOBAYASHI,M.ISHIBASHI,H.NAKAMURA,Y.OHIZUMI,Y.HIRATA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,101(1989) |
| Literature Reference DOI | 10.1039/p19890000101 |
| Molecular Weight | 514.740 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWWR5001 |