| SpectraBase Compound ID | ACvjc4CXzjk |
|---|---|
| InChI | InChI=1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7+,19-15+/t21-,22-,23+,24-,25-,28-,29+/m1/s1 |
| InChIKey | DQMXCXZEZVSOMG-LQVBVZMISA-N |
| Mol Weight | 516.6 g/mol |
| Molecular Formula | C29H40O8 |
| Exact Mass | 516.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhATgKsHMX4 |
|---|---|
| Name | (2'E)-12,13-DEOXYISOTRICHOVERRIN-B |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O8 |
| InChI | InChI=1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7+,19-15+/t21-,22-,23+,24-,25-,28-,29+/m1/s1 |
| InChIKey | DQMXCXZEZVSOMG-LQVBVZMISA-N |
| Literature Reference Author | B.B.JARVIS,S.WANG,H.L.AMMON |
| Literature Reference Citation | J.NAT.PROD.,59,254(1996) |
| Literature Reference DOI | 10.1021/np960078m |
| Molecular Weight | 516.632 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP2311 |