![BACOPASIDE-III;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-PSEUDOJUJUBOGENIN](/api/spectrum/GFARx2ba1FH/structure.png?h=300&w=458 "BACOPASIDE-III;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-PSEUDOJUJUBOGENIN")
| SpectraBase Compound ID | Gm5WQoVbw6W |
|---|---|
| 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)/p-1/t21-,22?,23+,24-,25?,26?,27+,28-,29+,30-,31-,32+,33?,34+,35+,37+,38-,39+,40+,41-/m1/s1 |
| InChIKey | JZAZJIXVJNAOQD-VRNJINNISA-M |
| Mol Weight | 846.0 g/mol |
| Molecular Formula | C41H65O16S |
| Exact Mass | 845.399332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFARx2ba1FH |
|---|---|
| Name | BACOPASIDE-III;3-O-[6-O-SULFONYL-BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-PSEUDOJUJUBOGENIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H65O16S |
| 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)/p-1/t21-,22?,23+,24-,25?,26?,27+,28-,29+,30-,31-,32+,33?,34+,35+,37+,38-,39+,40+,41-/m1/s1 |
| InChIKey | JZAZJIXVJNAOQD-VRNJINNISA-M |
| Literature Reference Author | C.C.HOU,S.J.LIN,J.T.CHENG,F.L.HSU |
| Literature Reference Citation | J.NAT.PROD.,65,1759(2002) |
| Literature Reference DOI | 10.1021/np020238w |
| Molecular Weight | 846.017 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI16381 |