| SpectraBase Compound ID | 5j5UwOVJeEP |
|---|---|
| InChI | InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20?,21?,22?,23?,24+,25+,27+,28+,29-,30+,31-,32-,33?,34?,35?,36?/m1/s1 |
| InChIKey | KWBPKUMWVXUSCA-VLYKWPDZSA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C36H56O13 |
| Exact Mass | 696.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8kZmrOHQtCX |
|---|---|
| Name | PERIPLOCIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O13 |
| InChI | InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20?,21?,22?,23?,24+,25+,27+,28+,29-,30+,31-,32-,33?,34?,35?,36?/m1/s1 |
| InChIKey | KWBPKUMWVXUSCA-VLYKWPDZSA-N |
| Literature Reference Author | J.XU,K.TAKEYA,H.ITOKAWA |
| Literature Reference Citation | PHYTOCHEM.,29,344(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)89071-G |
| Molecular Weight | 696.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ25409 |