| SpectraBase Compound ID | IbX16H55jHJ |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)13-14-41(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)15-16-42(35(51)52)20(21(41)17-37)7-8-25-39(5)11-10-26(38(3,4)24(39)9-12-40(25,42)6)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,39-,40+,41-,42+/m0/s1 |
| InChIKey | QRIIXBCGYZUHEZ-FCSGQQAASA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9vibjsZbYS |
|---|---|
| Name | MUSSAENDOSIDE-S;3-BETA-O-BETA-D-GLUCOPYRANOSYL-CINCHOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)13-14-41(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)15-16-42(35(51)52)20(21(41)17-37)7-8-25-39(5)11-10-26(38(3,4)24(39)9-12-40(25,42)6)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,39-,40+,41-,42+/m0/s1 |
| InChIKey | QRIIXBCGYZUHEZ-FCSGQQAASA-N |
| Literature Reference Author | W.ZHAO,J.XU,G.QIN,R.XU |
| Literature Reference Citation | PHYTOCHEM.,39,191(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00861-M |
| Molecular Weight | 810.977 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8390 |