| SpectraBase Compound ID | DquWeUFOJxW |
|---|---|
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | XNZJLZFJXAKNCP-ONCQKBEYSA-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 | 7LBJBDdvS7q |
|---|---|
| Name | ROLLINECIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H68O7 |
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31?,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | XNZJLZFJXAKNCP-ONCQKBEYSA-N |
| Literature Reference Author | G.SHI,Q.YE,K.HE,J.L.MCLAUGHLIN,J.M.MACDOUGAL |
| Literature Reference Citation | J.NAT.PROD.,59,548(1996) |
| Literature Reference DOI | 10.1021/np960128n |
| Molecular Weight | 624.943 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15316 |