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METHYL-3,4-SECO-OLEAN-12-EN-4-OL-3,28-DIOATE
SpectraBase Compound ID GqLprlVL6mr
InChI InChI=1S/C32H52O5/c1-27(2)16-18-32(26(34)37-9)19-17-30(6)21(22(32)20-27)10-11-24-29(5,14-13-25(33)36-8)23(28(3,4)35)12-15-31(24,30)7/h10,22-24,35H,11-20H2,1-9H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
InChIKey LTCQWOCNUBBPMS-QROXQBBHSA-N
Mol Weight 516.8 g/mol
Molecular Formula C32H52O5
Exact Mass 516.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LV3sVL7Idyy
Name METHYL-3,4-SECO-OLEAN-12-EN-4-OL-3,28-DIOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H52O5
InChI InChI=1S/C32H52O5/c1-27(2)16-18-32(26(34)37-9)19-17-30(6)21(22(32)20-27)10-11-24-29(5,14-13-25(33)36-8)23(28(3,4)35)12-15-31(24,30)7/h10,22-24,35H,11-20H2,1-9H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
InChIKey LTCQWOCNUBBPMS-QROXQBBHSA-N
Literature Reference Author N.SHIRANE,Y.HASHIMOTO,K.UEDA,H.TAKENAKA,K.KATOH
Literature Reference Citation PHYTOCHEM.,43,99(1996)
Literature Reference DOI 10.1016/0031-9422(96)00266-X
Molecular Weight 516.762 g/mol
Solvent CD3OD
Source File Reference UWMS1888