![MUBENOSIDE-A;3-BETA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-OIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GL](/api/spectrum/IhNnLpjr7ru/structure.png?h=300&w=458 "MUBENOSIDE-A;3-BETA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-OIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GL")
| SpectraBase Compound ID | Ja1eLVTE59D |
|---|---|
| InChI | InChI=1S/C45H72O17/c1-40(2)26-9-12-44(6)27(8-7-21-22-17-41(3,56)13-15-45(22,39(54)55)16-14-43(21,44)5)42(26,4)11-10-28(40)60-38-35(62-37-33(53)30(50)24(48)20-58-37)34(31(51)25(18-46)59-38)61-36-32(52)29(49)23(47)19-57-36/h7,22-38,46-53,56H,8-20H2,1-6H3,(H,54,55)/t22-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | OYDWTLURLATONI-HFWXCWOFSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C45H72O17 |
| Exact Mass | 884.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IhNnLpjr7ru |
|---|---|
| Name | MUBENOSIDE-A;3-BETA,20-ALPHA-DIHYDROXY-30-NOR-OLEAN-12-EN-28-OIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72O17 |
| InChI | InChI=1S/C45H72O17/c1-40(2)26-9-12-44(6)27(8-7-21-22-17-41(3,56)13-15-45(22,39(54)55)16-14-43(21,44)5)42(26,4)11-10-28(40)60-38-35(62-37-33(53)30(50)24(48)20-58-37)34(31(51)25(18-46)59-38)61-36-32(52)29(49)23(47)19-57-36/h7,22-38,46-53,56H,8-20H2,1-6H3,(H,54,55)/t22-,23-,24+,25+,26-,27+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,41+,42-,43+,44+,45-/m0/s1 |
| InChIKey | OYDWTLURLATONI-HFWXCWOFSA-N |
| Literature Reference Author | A.IKUTA,A.MORIKAWA,K.KUBOTA |
| Literature Reference Citation | PHYTOCHEM.,30,2425(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83672-8 |
| Molecular Weight | 885.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI25275 |