John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8yRmgLWwMPV SpectraBase Spectrum ID=2VLn4refcvq

(accessed ).
BRIAREOLATEESTER-K
SpectraBase Compound ID 8yRmgLWwMPV
InChI InChI=1S/C33H50O10/c1-9-11-12-14-28(36)41-23-18-25(40-22(6)34)32(7)24(42-27(35)13-10-2)16-15-19(3)17-26-33(43-26,21(5)31(38)39-8)30(37)29(32)20(23)4/h17,20-21,23-26,29H,9-16,18H2,1-8H3/b19-17-/t20-,21+,23-,24+,25+,26-,29-,32+,33+/m1/s1
InChIKey PAQQHUZFBPGMKQ-SQJFRALLSA-N
Mol Weight 606.8 g/mol
Molecular Formula C33H50O10
Exact Mass 606.340398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VLn4refcvq
Name BRIAREOLATEESTER-K
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H50O10
InChI InChI=1S/C33H50O10/c1-9-11-12-14-28(36)41-23-18-25(40-22(6)34)32(7)24(42-27(35)13-10-2)16-15-19(3)17-26-33(43-26,21(5)31(38)39-8)30(37)29(32)20(23)4/h17,20-21,23-26,29H,9-16,18H2,1-8H3/b19-17-/t20-,21+,23-,24+,25+,26-,29-,32+,33+/m1/s1
InChIKey PAQQHUZFBPGMKQ-SQJFRALLSA-N
Literature Reference Author R.J.MEGINLEY,P.GUPTA,T.C.SCHULZ,A.B.MCLEAN,A.J.ROBINS,L.M.WE ST
Literature Reference Citation MAR.DRUGS,10,1662(2012)
Literature Reference DOI 10.3390/md10081662
Molecular Weight 606.754 g/mol
Source File Reference UWIR5892
SpectraBase Batch ID BdE7o015Yfi