![BIS-[ENT-9-EPI-LABDA-8(17),(12Z),14-TRIEN-19-YL]-MALONATE](/api/spectrum/F5wNowBRV9y/structure.png?h=300&w=458 "BIS-[ENT-9-EPI-LABDA-8(17),(12Z),14-TRIEN-19-YL]-MALONATE")
| SpectraBase Compound ID | Ck4oGMkIGsm |
|---|---|
| InChI | InChI=1S/C43H64O4/c1-11-30(3)15-19-34-32(5)17-21-36-40(7,23-13-25-42(34,36)9)28-46-38(44)27-39(45)47-29-41(8)24-14-26-43(10)35(20-16-31(4)12-2)33(6)18-22-37(41)43/h11-12,15-16,34-37H,1-2,5-6,13-14,17-29H2,3-4,7-10H3/b30-15-,31-16-/t34-,35-,36?,37?,40-,41-,42-,43-/m0/s1 |
| InChIKey | JAVNXHOKSIRZIG-UYSYOQHQSA-N |
| Mol Weight | 645.0 g/mol |
| Molecular Formula | C43H64O4 |
| Exact Mass | 644.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5wNowBRV9y |
|---|---|
| Name | BIS-[ENT-9-EPI-LABDA-8(17),(12Z),14-TRIEN-19-YL]-MALONATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H64O4 |
| InChI | InChI=1S/C43H64O4/c1-11-30(3)15-19-34-32(5)17-21-36-40(7,23-13-25-42(34,36)9)28-46-38(44)27-39(45)47-29-41(8)24-14-26-43(10)35(20-16-31(4)12-2)33(6)18-22-37(41)43/h11-12,15-16,34-37H,1-2,5-6,13-14,17-29H2,3-4,7-10H3/b30-15-,31-16-/t34-,35-,36?,37?,40-,41-,42-,43-/m0/s1 |
| InChIKey | JAVNXHOKSIRZIG-UYSYOQHQSA-N |
| Literature Reference Author | J.A.GARBARINO,A.MOLINARI |
| Literature Reference Citation | J.NAT.PROD.,55,744(1992) |
| Literature Reference DOI | 10.1021/np50084a006 |
| Molecular Weight | 644.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS610 |