| SpectraBase Compound ID | AdTbv2UuniQ |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(51)29(49)27(47)22(18-44)56-34)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(45)40(5,24(37)10-13-39(23,38)4)35(52)57-33-30(50)28(48)26(46)21(17-43)55-33/h7,19,21-34,43-51,54H,8-18H2,1-6H3/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32?,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1 |
| InChIKey | XWCOKRYXNPIVOR-ZACCWFAGSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nQOE1Nga0z |
|---|---|
| Name | MUSSAENDOSIDE-V;3-BETA,19-ALPHA-DIHYDROXY-URS-12-EN-24,28-DIOIC-ACID-24,28-DI-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-19-9-14-42(36(53)58-34-31(51)29(49)27(47)22(18-44)56-34)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(45)40(5,24(37)10-13-39(23,38)4)35(52)57-33-30(50)28(48)26(46)21(17-43)55-33/h7,19,21-34,43-51,54H,8-18H2,1-6H3/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32?,33+,34+,37-,38-,39-,40-,41-,42+/m1/s1 |
| InChIKey | XWCOKRYXNPIVOR-ZACCWFAGSA-N |
| Literature Reference Author | W.ZHAO,J.L.WOLFENDER,K.HOSTETTMANN,K.CHENG,R.XU,G.QIN |
| Literature Reference Citation | PHYTOCHEM.,45,1073(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00089-7 |
| Molecular Weight | 826.976 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP468 |