![BACOPASIDE_VI;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOFURANOSYLPSEUDOJUJUBOGENIN](/api/spectrum/5RhS8B9jiZc/structure.png?h=300&w=458 "BACOPASIDE_VI;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOFURANOSYLPSEUDOJUJUBOGENIN")
| SpectraBase Compound ID | Htuj6tcHRgb |
|---|---|
| InChI | InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22?,23-,24+,25?,26?,27-,28+,29-,30+,31+,32-,33?,34-,35-,37-,38+,39-,40-,41+/m0/s1 |
| InChIKey | JZAZJIXVJNAOQD-WVNGJHSYSA-N |
| Mol Weight | 847.0 g/mol |
| Molecular Formula | C41H66O16S |
| Exact Mass | 846.407157 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 | 5RhS8B9jiZc |
|---|---|
| Name | BACOPASIDE_VI;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOFURANOSYLPSEUDOJUJUBOGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O16S |
| InChI | InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22?,23-,24+,25?,26?,27-,28+,29-,30+,31+,32-,33?,34-,35-,37-,38+,39-,40-,41+/m0/s1 |
| InChIKey | JZAZJIXVJNAOQD-WVNGJHSYSA-N |
| Literature Reference Author | Y.ZHOU,Y.H.SHEN,C.ZHANG,J.SU,R.H.LIU,W.D.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,70,652(2007) |
| Literature Reference DOI | 10.1021/np060470s |
| Molecular Weight | 847.025 g/mol |
| Sample ID | 30177 |
| Solvent | C5D5N |