| SpectraBase Compound ID | D8S7I2IR4PG |
|---|---|
| InChI | InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | JAQJQYMDHBSCKO-YAWJYSLYSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C30H44O8 |
| Exact Mass | 532.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | paTefrSY3x |
|---|---|
| Name | SIMPLEXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44O8 |
| InChI | InChI=1S/C30H44O8/c1-6-7-8-9-10-11-12-13-28-36-23-21-24-27(16-31,35-24)25(33)29(34)20(14-18(4)22(29)32)30(21,38-28)19(5)15-26(23,37-28)17(2)3/h14,19-21,23-25,31,33-34H,2,6-13,15-16H2,1,3-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey | JAQJQYMDHBSCKO-YAWJYSLYSA-N |
| Literature Reference Author | R.G.POWELL,D.WEISLEDER,C.R.SMITH |
| Literature Reference Citation | J.NAT.PROD.,48,102(1985) |
| Literature Reference DOI | 10.1021/np50037a018 |
| Molecular Weight | 532.675 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3575 |