| SpectraBase Compound ID | L8PH1812Car |
|---|---|
| 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-VMTRIXFTSA-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 | XX10e92oSg |
|---|---|
| Name | Simplexin |
| CAS Registry Number | 1404-62-2 |
| Comments | IN CD2CL2, REASSIGNED (W.B.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-VMTRIXFTSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | G.R. Pettit, J.C.Zou, J. Nat. Prod. (lloydia) 46, 563 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH2Cl2 |