| SpectraBase Compound ID | DIJaDQsbk6C |
|---|---|
| InChI | InChI=1S/C34H46O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-15,21,23-24,27,40-41H,12,16-17H2,1-10H3/b14-13+/t21-,23-,24+,27+,31+,32-,33+,34?/m1/s1 |
| InChIKey | ZOAMDCABMCQPSO-LXJHFFCLSA-N |
| Mol Weight | 598.7 g/mol |
| Molecular Formula | C34H46O9 |
| Exact Mass | 598.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KhQSGAzNCw4 |
|---|---|
| Name | CUCURBITACIN-I-2,16-DIACETAT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H46O9 |
| InChI | InChI=1S/C34H46O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-15,21,23-24,27,40-41H,12,16-17H2,1-10H3/b14-13+/t21-,23-,24+,27+,31+,32-,33+,34?/m1/s1 |
| InChIKey | ZOAMDCABMCQPSO-LXJHFFCLSA-N |
| Literature Reference Author | V.VANDE-VELDE,D.LAVIE |
| Literature Reference Citation | TETRAHEDRON,39,317(1983) |
| Literature Reference DOI | 10.1016/S0040-4020(01)91826-5 |
| Molecular Weight | 598.734 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW13140 |