| SpectraBase Compound ID | 3ThKjogtOvP |
|---|---|
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(39)20-15-14-16-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30-,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | RSMXBTHUMWOYLZ-NTLYYEAFSA-N |
| Mol Weight | 624.9 g/mol |
| Molecular Formula | C37H68O7 |
| Exact Mass | 624.496505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mgX1jGYopS |
|---|---|
| Name | 2,4-TRANS-XYLOMATICINONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H68O7 |
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-33(40)35-25-26-36(44-35)34(41)24-19-18-21-31(39)20-15-14-16-22-32-28-30(27-29(2)38)37(42)43-32/h30-36,39-41H,3-28H2,1-2H3/t30-,31+,32-,33+,34+,35+,36+/m0/s1 |
| InChIKey | RSMXBTHUMWOYLZ-NTLYYEAFSA-N |
| Literature Reference Author | F.Q.ALALI,L.ROGERS,Y.ZHANG,J.L.MCLAUGHLIN |
| Literature Reference Citation | J.NAT.PROD.,62,31(1999) |
| Literature Reference DOI | 10.1021/np970438l |
| Molecular Weight | 624.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20405 |