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METHYL-LABDA-8(17)-EN-12-OXO-15,19-DIOATE
SpectraBase Compound ID 1tIbozPQCW0
InChI InChI=1S/2C22H34O5/c2*1-14-8-9-18-21(3,10-7-11-22(18,4)20(25)27-6)16(14)13-17(23)15(2)12-19(24)26-5/h2*15-16,18H,1,7-13H2,2-6H3/t15-,16+,18-,21-,22+;15-,16-,18+,21+,22-/m10/s1
InChIKey SVFZCVBTKPLTBM-SLVMFTRPSA-N
Mol Weight 757.0 g/mol
Molecular Formula C44H68O10
Exact Mass 756.481248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNl5ITbiZ7B
Name METHYL-LABDA-8(17)-EN-12-OXO-15,19-DIOATE
Compound Number 1 B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H68O10
InChI InChI=1S/2C22H34O5/c2*1-14-8-9-18-21(3,10-7-11-22(18,4)20(25)27-6)16(14)13-17(23)15(2)12-19(24)26-5/h2*15-16,18H,1,7-13H2,2-6H3/t15-,16+,18-,21-,22+;15-,16-,18+,21+,22-/m10/s1
InChIKey SVFZCVBTKPLTBM-SLVMFTRPSA-N
Literature Reference Author M.IWAMOTO,H.OHTSU,H.TOKUDA,H.NISHINO,S.MATSUNAGA,R.TANAKA
Literature Reference Citation BIOORG.MED.CHEM.,9,1911(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00099-2
Molecular Weight 757.018 g/mol
Solvent CDCl3
Source File Reference UWMS22041