| SpectraBase Compound ID | BsN5zwOYPJu |
|---|---|
| InChI | InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18?,19-,21-,22?,25-,26+,27-,28?,30-,33+,34-,35+,36+/m0/s1 |
| InChIKey | LIIOJBIJVPGVGO-FBUSQXLQSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C36H52O12 |
| Exact Mass | 676.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEmuu8vZl2t |
|---|---|
| Name | 2-O-beta-D-GLUCOPYRANOSYL CUCURBITACIN I |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H52O12 |
| InChI | InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18?,19-,21-,22?,25-,26+,27-,28?,30-,33+,34-,35+,36+/m0/s1 |
| InChIKey | LIIOJBIJVPGVGO-FBUSQXLQSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |