| SpectraBase Compound ID | KYY0q4sBS36 |
|---|---|
| InChI | InChI=1S/C47H72O21/c1-42(39(58)59)12-14-47(41(62)68-38-35(57)32(54)30(52)24(66-38)19-64-36-34(56)31(53)29(51)23(17-48)65-36)15-13-44(3)20(21(47)16-42)6-7-25-43(2)10-9-27(67-37-33(55)28(50)22(49)18-63-37)46(5,40(60)61)26(43)8-11-45(25,44)4/h6,21-38,48-57H,7-19H2,1-5H3,(H,58,59)(H,60,61)/t21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,42+,43+,44+,45+,46-,47-/m0/s1 |
| InChIKey | QWHCTUWZFOOSOL-IXMMBEAASA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C47H72O21 |
| Exact Mass | 972.456609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cm5lgo82nxk |
|---|---|
| Name | DIANTHOSAPONIN-D;29-CARBOXY-GYPSOGENIC-ACID-3-O-ALPHA-L-ARABINOPYRANOSYL-28-BETA-D-(6''-O-BETA-D-GLUCOPYRANOSYL)-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O21 |
| InChI | InChI=1S/C47H72O21/c1-42(39(58)59)12-14-47(41(62)68-38-35(57)32(54)30(52)24(66-38)19-64-36-34(56)31(53)29(51)23(17-48)65-36)15-13-44(3)20(21(47)16-42)6-7-25-43(2)10-9-27(67-37-33(55)28(50)22(49)18-63-37)46(5,40(60)61)26(43)8-11-45(25,44)4/h6,21-38,48-57H,7-19H2,1-5H3,(H,58,59)(H,60,61)/t21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,38-,42+,43+,44+,45+,46-,47-/m0/s1 |
| InChIKey | QWHCTUWZFOOSOL-IXMMBEAASA-N |
| Literature Reference Author | T.NAKANO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1141(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1141 |
| Molecular Weight | 973.076 g/mol |
| Source File Reference | UWIR3536 |