John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5wdKAto8uQ2 SpectraBase Spectrum ID=2w1hTRAmaL5

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3-O-METHYLMALONYLCABRALEAHYDROXYLACTONE
SpectraBase Compound ID 5wdKAto8uQ2
InChI InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31-/m1/s1
InChIKey ANHOWKNWMOVOFJ-BEUCKGGFSA-N
Mol Weight 516.7 g/mol
Molecular Formula C31H48O6
Exact Mass 516.34509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2w1hTRAmaL5
Name 3-O-METHYLMALONYLCABRALEAHYDROXYLACTONE
Compound Number 16
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O6
InChI InChI=1S/C31H48O6/c1-27(2)21-11-16-30(5)22(28(21,3)14-12-23(27)36-26(34)18-25(33)35-7)9-8-19-20(10-15-29(19,30)4)31(6)17-13-24(32)37-31/h19-23H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,28+,29-,30-,31-/m1/s1
InChIKey ANHOWKNWMOVOFJ-BEUCKGGFSA-N
Literature Reference Author Y.KASHIWADA,M.SEKIYA,K.YAMAZAKI,Y.IKESHIRO,T.FUJIOKA,T.YAMAG ISHI,S.KITAGAWA,Y.TA
Literature Reference Citation J.NAT.PROD.,70,623(2007)
Literature Reference DOI 10.1021/np060631s
Molecular Weight 516.719 g/mol
Sample ID 30167
Solvent C5D5N
SpectraBase Batch ID 2uCDwPosE8I