![JUJUBOGENIN-3-O-(5-O-MALONYL)-ALPHA-L-ARABINOFURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE](/api/spectrum/8aLNwVZ2POA/structure.png?h=300&w=458 "JUJUBOGENIN-3-O-(5-O-MALONYL)-ALPHA-L-ARABINOFURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE")
| SpectraBase Compound ID | 3JQ2BiYD7Ll |
|---|---|
| InChI | InChI=1S/C49H76O20/c1-22(2)14-23-16-47(7,60)40-24-8-9-29-45(5)12-11-30(44(3,4)28(45)10-13-46(29,6)48(24)20-49(40,69-23)63-21-48)66-43-39(68-41-36(58)34(56)27(65-41)19-61-32(54)15-31(52)53)38(25(51)18-62-43)67-42-37(59)35(57)33(55)26(17-50)64-42/h14,23-30,33-43,50-51,55-60H,8-13,15-21H2,1-7H3,(H,52,53)/t23-,24?,25-,26+,27-,28?,29?,30-,33+,34-,35-,36+,37+,38-,39+,40?,41-,42-,43-,45-,46+,47-,48+,49+/m0/s1 |
| InChIKey | JFGJFDHXXKGFOP-RWRFQMONSA-N |
| Mol Weight | 985.1 g/mol |
| Molecular Formula | C49H76O20 |
| Exact Mass | 984.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aLNwVZ2POA |
|---|---|
| Name | JUJUBOGENIN-3-O-(5-O-MALONYL)-ALPHA-L-ARABINOFURANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O20 |
| InChI | InChI=1S/C49H76O20/c1-22(2)14-23-16-47(7,60)40-24-8-9-29-45(5)12-11-30(44(3,4)28(45)10-13-46(29,6)48(24)20-49(40,69-23)63-21-48)66-43-39(68-41-36(58)34(56)27(65-41)19-61-32(54)15-31(52)53)38(25(51)18-62-43)67-42-37(59)35(57)33(55)26(17-50)64-42/h14,23-30,33-43,50-51,55-60H,8-13,15-21H2,1-7H3,(H,52,53)/t23-,24?,25-,26+,27-,28?,29?,30-,33+,34-,35-,36+,37+,38-,39+,40?,41-,42-,43-,45-,46+,47-,48+,49+/m0/s1 |
| InChIKey | JFGJFDHXXKGFOP-RWRFQMONSA-N |
| Literature Reference Author | X.C.LI,H.N.ELSOHLY,A.C.NIMROD,A.M.CLARK |
| Literature Reference Citation | J.NAT.PROD.,62,674(1999) |
| Literature Reference DOI | 10.1021/np9803169 |
| Molecular Weight | 985.130 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP7839 |