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BREYNCEANOTHANOLIC_ACID;5-ALPHA,10-ALPHA-EPOXY-9-ALPHA,27-ALPHA-LACTONE-25-(10->2-ALPHA)-ABEO-A-(1)-NORLUP-20-(29)-EN-28-OIC_ACID
SpectraBase Compound ID CnTYQWivCOf
InChI InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey SNCMVKNGLNUISS-GCWSBASFSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76Fp7jLR1z5
Name BREYNCEANOTHANOLIC_ACID;5-ALPHA,10-ALPHA-EPOXY-9-ALPHA,27-ALPHA-LACTONE-25-(10->2-ALPHA)-ABEO-A-(1)-NORLUP-20-(29)-EN-28-OIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1
InChIKey SNCMVKNGLNUISS-GCWSBASFSA-N
Literature Reference Author Y.P.LIU,X.H.CAI,T.FENG,Y.LI,X.N.LI,X.D.LUO
Literature Reference Citation J.NAT.PROD.,74,1161(2011)
Literature Reference DOI 10.1021/np2000914
Molecular Weight 468.634 g/mol
Sample ID 38206
Solvent CDCl3