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Dimethyl 3-hydroxylup-20(29)-ene-27,28-dioate

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Dimethyl 3-hydroxylup-20(29)-ene-27,28-dioate
SpectraBase Compound ID 1YebDyjqvRC
InChI InChI=1S/C32H50O5/c1-19(2)20-11-16-31(26(34)36-7)17-18-32(27(35)37-8)21(25(20)31)9-10-23-29(5)14-13-24(33)28(3,4)22(29)12-15-30(23,32)6/h20-25,33H,1,9-18H2,2-8H3
InChIKey CUWLUVLGDXWEJV-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C32H50O5
Exact Mass 514.365825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2S371Xi8vFK
Name Dimethyl melaleucate
CAS Registry Number 2830-30-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H50O5
InChI InChI=1S/C32H50O5/c1-19(2)20-11-16-31(26(34)36-7)17-18-32(27(35)37-8)21(25(20)31)9-10-23-29(5)14-13-24(33)28(3,4)22(29)12-15-30(23,32)6/h20-25,33H,1,9-18H2,2-8H3
InChIKey CUWLUVLGDXWEJV-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E. Wenkert, G.V. Baddeley, I.R. Burfitt, Org. Magn. Resonance 11, 337 (1978).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3