| SpectraBase Compound ID | EplOyecL94I |
|---|---|
| InChI | InChI=1S/C29H44O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,17-18,21-24,26-27,32H,1,10,12-15H2,2-8H3/b16-11+/t17?,18-,21-,22+,23+,24+,26+,27-,28-,29-/m0/s1 |
| InChIKey | SISPBFQULSGJCZ-QWJWBLJXSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C29H44O8 |
| Exact Mass | 520.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TrCXxUI4ee |
|---|---|
| Name | CASEARINOL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O8 |
| InChI | InChI=1S/C29H44O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,17-18,21-24,26-27,32H,1,10,12-15H2,2-8H3/b16-11+/t17?,18-,21-,22+,23+,24+,26+,27-,28-,29-/m0/s1 |
| InChIKey | SISPBFQULSGJCZ-QWJWBLJXSA-N |
| Literature Reference Author | M.S.HUNTER,D.G.CORLEY,C.P.CARRON,E.ROWOLD,B.F.KILPATRICK,R.C .DURLEY |
| Literature Reference Citation | J.NAT.PROD.,60,894(1997) |
| Literature Reference DOI | 10.1021/np970141n |
| Molecular Weight | 520.664 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU508 |