| SpectraBase Compound ID | K4xVMVSa85X |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18-21,23,31-32,35-36H,11,13-16H2,1-8H3/b12-9+/t18-,19+,20-,21+,23+,27+,28-,29-,30+/m1/s1 |
| InChIKey | IJFYQSUPMMVTOA-GGZKZJLJSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvV8nDxAtAs |
|---|---|
| Name | 22-DEOXYCUCURBITACIN-D;2-BETA,16-ALPHA,20,25-TETRAHYDROXY-9-METHYL-19-NOR-9-BETA,10-ALPHA-LANOSTA-5,23-DIENE-3,11,22-TRIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-25(2,35)12-9-13-29(7,36)23-20(32)15-27(5)21-11-10-17-18(14-19(31)24(34)26(17,3)4)30(21,8)22(33)16-28(23,27)6/h9-10,12,18-21,23,31-32,35-36H,11,13-16H2,1-8H3/b12-9+/t18-,19+,20-,21+,23+,27+,28-,29-,30+/m1/s1 |
| InChIKey | IJFYQSUPMMVTOA-GGZKZJLJSA-N |
| Literature Reference Author | C.SEGER,S.STURM,E.HASLINGER,H.STUPPNER |
| Literature Reference Citation | MH.CHEM.,136,1645(2005) |
| Literature Reference DOI | 10.1007/s00706-005-0347-2 |
| Molecular Weight | 502.692 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23653 |