| SpectraBase Compound ID | 1jfpitZFXGw |
|---|---|
| InChI | InChI=1S/2C38H62O11/c2*1-21(19-45-23(3)39)9-8-10-22(2)28-11-12-29-27-17-32(42)38(44)18-26(13-16-37(38,7)30(27)14-15-36(28,29)6)49-35-33(43)34(48-25(5)41)31(20-46-35)47-24(4)40/h2*21-22,26-35,42-44H,8-20H2,1-7H3/t21-,22+,26-,27-,28+,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-;21-,22-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37-,38+/m01/s1 |
| InChIKey | YAKMVNQEXDLLGS-YEQTVZMLSA-N |
| Mol Weight | 1389.8 g/mol |
| Molecular Formula | C76H124O22 |
| Exact Mass | 1388.858426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zn9uorTvHg |
|---|---|
| Name | CARIJOSIDE-A;3-BETA-O-(3',4'-DI-O-ACETYL-BETA-D-ARABINOPYRANOSYL)-25-XI-CHOLESTANE-3-BETA,5-ALPHA,6-BETA,26-TETRAOL-26-ACETATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H124O22 |
| InChI | InChI=1S/2C38H62O11/c2*1-21(19-45-23(3)39)9-8-10-22(2)28-11-12-29-27-17-32(42)38(44)18-26(13-16-37(38,7)30(27)14-15-36(28,29)6)49-35-33(43)34(48-25(5)41)31(20-46-35)47-24(4)40/h2*21-22,26-35,42-44H,8-20H2,1-7H3/t21-,22+,26-,27-,28+,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-;21-,22-,26+,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37-,38+/m01/s1 |
| InChIKey | YAKMVNQEXDLLGS-YEQTVZMLSA-N |
| Literature Reference Author | C.Y.LIU,T.L.HWANG,M.R.LIN,Y.H.CHEN,Y.C.CHANG,L.S.FANG,W.H.WA NG,Y.C.WU |
| Literature Reference Citation | MAR.DRUGS,8,2014(2010) |
| Literature Reference DOI | 10.3390/md8072014 |
| Molecular Weight | 1389.807 g/mol |
| Source File Reference | UWIR6270 |