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ent-Labda-8(17),12Z,14-triene-2.alpha.,3.beta.-dibenzoate
SpectraBase Compound ID E8W82egy0RZ
InChI InChI=1S/C34H40O4/c1-7-23(2)18-20-27-24(3)19-21-29-33(4,5)30(38-32(36)26-16-12-9-13-17-26)28(22-34(27,29)6)37-31(35)25-14-10-8-11-15-25/h7-18,27-30H,1,3,19-22H2,2,4-6H3/b23-18-/t27-,28+,29-,30-,34+/m1/s1
InChIKey VLAQSVREBSXOKQ-NIZQPAIASA-N
Mol Weight 512.7 g/mol
Molecular Formula C34H40O4
Exact Mass 512.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73xzBoQ0ElJ
Name ENT-LABDA-8(17),12-Z,14-TRIENE-2-ALPHA,3-BETA-DIBENZOATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H40O4
InChI InChI=1S/C34H40O4/c1-7-23(2)18-20-27-24(3)19-21-29-33(4,5)30(38-32(36)26-16-12-9-13-17-26)28(22-34(27,29)6)37-31(35)25-14-10-8-11-15-25/h7-18,27-30H,1,3,19-22H2,2,4-6H3/b23-18-/t27-,28+,29-,30-,34+/m1/s1
InChIKey VLAQSVREBSXOKQ-NIZQPAIASA-N
Literature Reference Author C.GASPAR-MARQUES,M.F.SIMOES,B.RODRIGUEZ
Literature Reference Citation J.NAT.PROD.,67,614(2004)
Literature Reference DOI 10.1021/np030490j
Molecular Weight 512.689 g/mol
Solvent CDCl3
Source File Reference UWMZ7145