![BACOPASIDE_VII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL}-JUJUBOGENIN](/api/spectrum/91fMLWg9w3J/structure.png?h=300&w=458 "BACOPASIDE_VII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL}-JUJUBOGENIN")
| SpectraBase Compound ID | 9KNPQN88Coa |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23?,24+,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36-,37?,38+,39+,40+,42+,43-,44+,45+,46+/m1/s1 |
| InChIKey | RANQPHKSRUUPKK-JGPONQFRSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91fMLWg9w3J |
|---|---|
| Name | BACOPASIDE_VII;3-O-{BETA-D-GLUCOPYRANOSYL-(1->3)-[ALPHA-L-ARABINOFURANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL}-JUJUBOGENIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-21(2)14-22-15-44(7,55)37-23-8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,6)45(23)19-46(37,63-22)57-20-45)60-40-36(62-38-33(53)31(51)26(17-48)59-38)35(24(49)18-56-40)61-39-34(54)32(52)30(50)25(16-47)58-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23?,24+,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36-,37?,38+,39+,40+,42+,43-,44+,45+,46+/m1/s1 |
| InChIKey | RANQPHKSRUUPKK-JGPONQFRSA-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 | 899.083 g/mol |
| Sample ID | 30178 |
| Solvent | C5D5N |