![3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-HEDERAGENIN](/api/spectrum/E6xXRuhNxKl/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-HEDERAGENIN")
| SpectraBase Compound ID | 1LMB9V4fM1Y |
|---|---|
| InChI | InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43+,44+,45+,46-/m0/s1 |
| InChIKey | IAGSHEHQJJTLLR-DUEWAENLSA-N |
| Mol Weight | 883.1 g/mol |
| Molecular Formula | C46H74O16 |
| Exact Mass | 882.497686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6xXRuhNxKl |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE]-HEDERAGENIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O16 |
| InChI | InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43+,44+,45+,46-/m0/s1 |
| InChIKey | IAGSHEHQJJTLLR-DUEWAENLSA-N |
| Literature Reference Author | J.NI,H.GAO,B.SUN,Z.WANG,L.WU |
| Literature Reference Citation | AS.J.TRAD.MED.,1,69(2006) |
| Molecular Weight | 883.084 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU81285 |