| SpectraBase Compound ID | LCOT83MnWx7 |
|---|---|
| InChI | InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3/b13-11+,23-12+,33-24+/t29-,30-,31+,32-,34+,35+,36-/m1/s1 |
| InChIKey | BKYTUKQTWNSKPW-QWHWDEFVSA-N |
| Mol Weight | 596.8 g/mol |
| Molecular Formula | C36H52O7 |
| Exact Mass | 596.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68eb8JIwszT |
|---|---|
| Name | 3-EPI-29-ACETOXYSTELLIFERIN_E |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O7 |
| InChI | InChI=1S/C36H52O7/c1-22(2)14-15-29(42-26(6)38)23(3)12-11-13-24(4)33-28(40)20-31-34(8)19-17-32(43-27(7)39)36(10,21-41-25(5)37)30(34)16-18-35(31,33)9/h11-14,29-32H,15-21H2,1-10H3/b13-11+,23-12+,33-24+/t29-,30-,31+,32-,34+,35+,36-/m1/s1 |
| InChIKey | BKYTUKQTWNSKPW-QWHWDEFVSA-N |
| Literature Reference Author | J.A.CLEMENT,M.LI,S.M.HECHT,D.G.I.KINGSTON |
| Literature Reference Citation | J.NAT.PROD.,69,373(2006) |
| Literature Reference DOI | 10.1021/np0504107 |
| Molecular Weight | 596.805 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18099 |