| SpectraBase Compound ID | 8s0kVJn5AAT |
|---|---|
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3/t27?,28?,29-,30-,31+,32-,33+,34-/m0/s1 |
| InChIKey | XNEFYQGSRCIPKN-MOVDTWHFSA-N |
| Mol Weight | 594.9 g/mol |
| Molecular Formula | C35H62O7 |
| Exact Mass | 594.449554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4G3FbfsHvk |
|---|---|
| Name | 2,4-CIS-ISOMOLVIZARIN-1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H62O7 |
| InChI | InChI=1S/C35H62O7/c1-3-4-5-6-7-8-12-15-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-13-10-9-11-14-17-28-25-27(24-26(2)36)35(39)40-28/h27-34,37-38H,3-25H2,1-2H3/t27?,28?,29-,30-,31+,32-,33+,34-/m0/s1 |
| InChIKey | XNEFYQGSRCIPKN-MOVDTWHFSA-N |
| Literature Reference Author | P.DURET,D.GROMEK,R.HOCQUEMILLER,A.CAVE,D.CORTES |
| Literature Reference Citation | J.NAT.PROD.,57,911(1994) |
| Literature Reference DOI | 10.1021/np50109a006 |
| Molecular Weight | 594.873 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1789 |