| SpectraBase Compound ID | 3IffEaDCQid |
|---|---|
| InChI | InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17-,19-,22+,24-,26-,28+/m1/s1 |
| InChIKey | HLJUWPYOKLNZAF-JQIMWYCJSA-N |
| Mol Weight | 544.7 g/mol |
| Molecular Formula | C32H48O7 |
| Exact Mass | 544.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 380Y3XMYU7p |
|---|---|
| Name | ONCHITRIOL-#1 |
| CAS Registry Number | 140924-47-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O7 |
| InChI | InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17-,19-,22+,24-,26-,28+/m1/s1 |
| InChIKey | HLJUWPYOKLNZAF-JQIMWYCJSA-N |
| Literature Reference Author | J.RODRIGUEZ,R.RIGUERA,C.DEBITUS |
| Literature Reference Citation | J.ORG.CHEM.,57,4624(1992) |
| Literature Reference DOI | 10.1021/jo00043a018 |
| Molecular Weight | 544.729 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS2470 |