| SpectraBase Compound ID | Iyn1RMtPmwK |
|---|---|
| InChI | InChI=1S/C36H52O11/c1-16(2)11-19-30(43)36(8,44)28-21(45-19)13-33(5)23-10-9-17-18(35(23,7)24(38)14-34(28,33)6)12-20(29(42)32(17,3)4)46-31-27(41)26(40)25(39)22(15-37)47-31/h9,11-12,18-19,21-23,25-28,30-31,37,39-41,43-44H,10,13-15H2,1-8H3/t18-,19+,21-,22+,23+,25+,26-,27+,28+,30-,31+,33+,34-,35+,36-/m1/s1 |
| InChIKey | YROWDXFQJCHNIN-UPCUFDLKSA-N |
| Mol Weight | 660.8 g/mol |
| Molecular Formula | C36H52O11 |
| Exact Mass | 660.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVk9PTJy9kS |
|---|---|
| Name | KHEKADAENGOSIDE-I;2,20(S),22-TRIHYDROXY-16-ALPHA,23(S)-EPOXYCUCURBITA-5,24-DIENE-3,11-DIONE-2-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O11 |
| InChI | InChI=1S/C36H52O11/c1-16(2)11-19-30(43)36(8,44)28-21(45-19)13-33(5)23-10-9-17-18(35(23,7)24(38)14-34(28,33)6)12-20(29(42)32(17,3)4)46-31-27(41)26(40)25(39)22(15-37)47-31/h9,11-12,18-19,21-23,25-28,30-31,37,39-41,43-44H,10,13-15H2,1-8H3/t18-,19+,21-,22+,23+,25+,26-,27+,28+,30-,31+,33+,34-,35+,36-/m1/s1 |
| InChIKey | YROWDXFQJCHNIN-UPCUFDLKSA-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 | 660.802 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2560 |