John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KPK1Fv7yIJQ SpectraBase Spectrum ID=284HCSv9NgN

(accessed ).
SOOTEPIN_A
SpectraBase Compound ID KPK1Fv7yIJQ
InChI InChI=1S/C31H46O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,20,22-24,26,32H,3,7,9-18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
InChIKey LSBCUXSKJRJJJU-PXERRMOCSA-N
Mol Weight 498.7 g/mol
Molecular Formula C31H46O5
Exact Mass 498.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 284HCSv9NgN
Name SOOTEPIN_A
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H46O5
InChI InChI=1S/C31H46O5/c1-19(17-32)8-7-9-20(2)22-10-12-29(5)24-16-23-26(21(3)27(34)36-23)31(13-11-25(33)35-6)18-30(24,31)15-14-28(22,29)4/h8,20,22-24,26,32H,3,7,9-18H2,1-2,4-6H3/b19-8+/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
InChIKey LSBCUXSKJRJJJU-PXERRMOCSA-N
Literature Reference Author T.NUANYAI,R.SAPPAPAN,T.TEERAWATANANOND,N.MUANGSIN,K.PUDHORN
Literature Reference Citation J.NAT.PROD.,72,1161(2009)
Literature Reference DOI 10.1021/np900156k
Molecular Weight 498.703 g/mol
Sample ID 33086
Solvent CDCl3
SpectraBase Batch ID ISfqA8NDNhy