| SpectraBase Compound ID | BMry47Evc5f |
|---|---|
| InChI | InChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30+,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MFGFWXCTLLADHW-XVYLNTAGSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C37H66O8 |
| Exact Mass | 638.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3pSdXSc1ba3 |
|---|---|
| Name | PURPURENIN;ACETOGENIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O8 |
| InChI | InChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30+,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | MFGFWXCTLLADHW-XVYLNTAGSA-N |
| Literature Reference Author | D.CHAVEZ,R.MATA |
| Literature Reference Citation | J.NAT.PROD.,61,580(1998) |
| Literature Reference DOI | 10.1021/np970410+ |
| Molecular Weight | 638.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ392 |