| SpectraBase Compound ID | 1lAzLBW3a5x |
|---|---|
| InChI | InChI=1S/C42H64O16/c1-17-26(45)28(47)30(49)35(54-17)58-31-29(48)27(46)23(16-43)57-36(31)56-20-12-19-18(37(2,3)33(20)50)10-11-24-39(6)13-21-32(40(39,7)15-25(44)42(19,24)9)41(8,53)14-22(55-21)34(51)38(4,5)52/h10,12,17,19,21-24,26-32,34-36,43,45-49,51-53H,11,13-16H2,1-9H3/t17-,19-,21-,22-,23+,24+,26-,27+,28+,29-,30+,31+,32+,34?,35-,36+,39+,40-,41+,42+/m1/s1 |
| InChIKey | LJIPHELFYSCLEX-DDTBGAPGSA-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 | GZOdPsYzYGq |
|---|---|
| Name | KHEKADAENGOSIDE-J;2,20(S),24-XI-TRIHYDROXY-16-ALPHA,23(R)-EPOXYCUCURBITA-5-ENE-3,11-DIONE-2-O-ALPHA-RHAMNOPYRANOSYL-(1->2)-BETA-GLUCOPYRANOSIDE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H64O16 |
| InChI | InChI=1S/C42H64O16/c1-17-26(45)28(47)30(49)35(54-17)58-31-29(48)27(46)23(16-43)57-36(31)56-20-12-19-18(37(2,3)33(20)50)10-11-24-39(6)13-21-32(40(39,7)15-25(44)42(19,24)9)41(8,53)14-22(55-21)34(51)38(4,5)52/h10,12,17,19,21-24,26-32,34-36,43,45-49,51-53H,11,13-16H2,1-9H3/t17-,19-,21-,22-,23+,24+,26-,27+,28+,29-,30+,31+,32+,34?,35-,36+,39+,40-,41+,42+/m1/s1 |
| InChIKey | LJIPHELFYSCLEX-DDTBGAPGSA-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 | UWVN2561 |