John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Bplx65FWePs SpectraBase Spectrum ID=1iHEgIeE6ss

(accessed ).
BRIAREIN-H
SpectraBase Compound ID Bplx65FWePs
InChI InChI=1S/C30H40O14/c1-14-27(36)44-24-11-20(13-39-15(2)31)9-10-21(40-16(3)32)28(7)22(41-17(4)33)12-23(42-18(5)34)29(8,37)25(28)26(30(14,24)38)43-19(6)35/h9-11,14,21-26,37-38H,12-13H2,1-8H3/b10-9-,20-11+/t14-,21-,22-,23+,24-,25+,26-,28-,29+,30-/m0/s1
InChIKey HTVWHCFKRMSRQO-DRUGDJOUSA-N
Mol Weight 624.6 g/mol
Molecular Formula C30H40O14
Exact Mass 624.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iHEgIeE6ss
Name BRIAREIN-H
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40O14
InChI InChI=1S/C30H40O14/c1-14-27(36)44-24-11-20(13-39-15(2)31)9-10-21(40-16(3)32)28(7)22(41-17(4)33)12-23(42-18(5)34)29(8,37)25(28)26(30(14,24)38)43-19(6)35/h9-11,14,21-26,37-38H,12-13H2,1-8H3/b10-9-,20-11+/t14-,21-,22-,23+,24-,25+,26-,28-,29+,30-/m0/s1
InChIKey HTVWHCFKRMSRQO-DRUGDJOUSA-N
Literature Reference Author A.D.RODRIGUEZ,C.RAMIREZ,O.M.COBAR
Literature Reference Citation J.NAT.PROD.,59,15(1996)
Literature Reference DOI 10.1021/np960001y
Molecular Weight 624.639 g/mol
Solvent CDCl3
Source File Reference UWVP874
SpectraBase Batch ID Bq2EPD6OUBe