| SpectraBase Compound ID | 4NP0vQF0Fl |
|---|---|
| InChI | InChI=1S/C40H72O21/c1-4-5-11-14-21(15-12-9-7-6-8-10-13-16-24(43)44)56-39-35(29(49)25(45)19(2)54-39)61-40-36(30(50)27(47)23(18-42)58-40)60-37-33(53)31(51)34(20(3)55-37)59-38-32(52)28(48)26(46)22(17-41)57-38/h19-23,25-42,45-53H,4-18H2,1-3H3,(H,43,44)/t19-,20+,21-,22+,23-,25-,26+,27-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+/m1/s1 |
| InChIKey | SLNQSBWEICCRQX-WOBLWNNYSA-N |
| Mol Weight | 889.0 g/mol |
| Molecular Formula | C40H72O21 |
| Exact Mass | 888.456609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tTe98K26RP |
|---|---|
| Name | SCAMMONIC_ACID_B;(11-S)-JALAPINOLIC_ACID_11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-Q |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H72O21 |
| InChI | InChI=1S/C40H72O21/c1-4-5-11-14-21(15-12-9-7-6-8-10-13-16-24(43)44)56-39-35(29(49)25(45)19(2)54-39)61-40-36(30(50)27(47)23(18-42)58-40)60-37-33(53)31(51)34(20(3)55-37)59-38-32(52)28(48)26(46)22(17-41)57-38/h19-23,25-42,45-53H,4-18H2,1-3H3,(H,43,44)/t19-,20+,21-,22+,23-,25-,26+,27-,28-,29+,30+,31+,32+,33-,34+,35-,36-,37+,38-,39+,40+/m1/s1 |
| InChIKey | SLNQSBWEICCRQX-WOBLWNNYSA-N |
| Literature Reference Author | N.NODA,H.KOGETSU,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,31,2761(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83626-A |
| Molecular Weight | 888.999 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21435 |