| SpectraBase Compound ID | 62Yxc4dkZXC |
|---|---|
| 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(30(50)27(47)22(17-41)57-39)61-40-36(31(51)28(48)23(18-42)58-40)60-38-33(53)34(26(46)20(3)55-38)59-37-32(52)29(49)25(45)19(2)54-37/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-/m0/s1 |
| InChIKey | IIIBAFGYJYVDRT-UASZMUNSSA-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 | FhK9IZF4A1H |
|---|---|
| Name | CUSCUTIC-ACID-D |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 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(30(50)27(47)22(17-41)57-39)61-40-36(31(51)28(48)23(18-42)58-40)60-38-33(53)34(26(46)20(3)55-38)59-37-32(52)29(49)25(45)19(2)54-37/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-/m0/s1 |
| InChIKey | IIIBAFGYJYVDRT-UASZMUNSSA-N |
| Literature Reference Author | X.M.DU,K.KOHINATA,T.KAWASAKI,Y.T.GUO,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,48,843(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00990-4 |
| Molecular Weight | 888.999 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1240 |