| SpectraBase Compound ID | IQfZ1bSs83i |
|---|---|
| InChI | InChI=1S/C42H64O16/c1-18-27(47)29(49)31(51)35(55-18)58-32-30(50)28(48)23(17-43)57-36(32)56-22-14-20-19(38(4,5)34(22)52)10-11-24-39(6)15-21(44)33(40(39,7)16-26(46)41(20,24)8)42(9,54)25(45)12-13-37(2,3)53/h10,14,18,20-21,23-24,27-33,35-36,43-44,47-51,53-54H,11-13,15-17H2,1-9H3/t18-,20-,21-,23+,24+,27-,28+,29+,30-,31+,32+,33+,35-,36+,39+,40-,41+,42+/m1/s1 |
| InChIKey | UFINFGVQJXYBJL-SKBBMVRYSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C42H64O16 |
| Exact Mass | 824.419436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | At17ecW1rtw |
|---|---|
| Name | KHEKADAENGOSIDE-A;CUCURBITACIN-L-2-O-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O16 |
| InChI | InChI=1S/C42H64O16/c1-18-27(47)29(49)31(51)35(55-18)58-32-30(50)28(48)23(17-43)57-36(32)56-22-14-20-19(38(4,5)34(22)52)10-11-24-39(6)15-21(44)33(40(39,7)16-26(46)41(20,24)8)42(9,54)25(45)12-13-37(2,3)53/h10,14,18,20-21,23-24,27-33,35-36,43-44,47-51,53-54H,11-13,15-17H2,1-9H3/t18-,20-,21-,23+,24+,27-,28+,29+,30-,31+,32+,33+,35-,36+,39+,40-,41+,42+/m1/s1 |
| InChIKey | UFINFGVQJXYBJL-SKBBMVRYSA-N |
| Literature Reference Author | T.KANCHANAPOOM,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,59,215(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00430-7 |
| Molecular Weight | 824.961 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2542 |