| SpectraBase Compound ID | CNPqtrqsAua |
|---|---|
| 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-BTWVLLKVSA-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 | LlbU1v72v0n |
|---|---|
| Name | #1;MUBENOSIDE-A;3-BETA,20-ALPHA-DIHYDROXY-29-NOROLEAN-12-EN-28-OIC-ACID-3-BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE |
| 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-BTWVLLKVSA-N |
| Literature Reference Author | A.IKUTA |
| Literature Reference Citation | J.NAT.PROD.,58,1378(1995) |
| Literature Reference DOI | 10.1021/np50123a007 |
| Molecular Weight | 885.056 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS23576 |