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BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE]
SpectraBase Compound ID Lujl7mGc1Q7
InChI InChI=1S/C40H64O13/c1-18-9-12-40(48-16-18)19(2)30-27(53-40)15-26-24-8-7-22-13-23(42)14-29(39(22,6)25(24)10-11-38(26,30)5)51-36-34(46)35(28(17-47-36)50-21(4)41)52-37-33(45)32(44)31(43)20(3)49-37/h18-20,22-37,42-46H,7-17H2,1-6H3/t18-,19-,20+,22-,23+,24?,25?,26?,27?,28+,29+,30?,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+/m0/s1
InChIKey AVELULGCHYLCQA-YDPYHAKMSA-N
Mol Weight 752.9 g/mol
Molecular Formula C40H64O13
Exact Mass 752.434692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRWF441L9LG
Name BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-ACETYL-ALPHA-L-ARABINOPYRANOSIDE]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H64O13
InChI InChI=1S/C40H64O13/c1-18-9-12-40(48-16-18)19(2)30-27(53-40)15-26-24-8-7-22-13-23(42)14-29(39(22,6)25(24)10-11-38(26,30)5)51-36-34(46)35(28(17-47-36)50-21(4)41)52-37-33(45)32(44)31(43)20(3)49-37/h18-20,22-37,42-46H,7-17H2,1-6H3/t18-,19-,20+,22-,23+,24?,25?,26?,27?,28+,29+,30?,31+,32-,33-,34-,35+,36+,37+,38-,39-,40+/m0/s1
InChIKey AVELULGCHYLCQA-YDPYHAKMSA-N
Literature Reference Author T.INOUE,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO
Literature Reference Citation PHYTOCHEM.,39,1103(1995)
Literature Reference DOI 10.1016/0031-9422(95)00117-P
Molecular Weight 752.940 g/mol
Solvent C5D5N
Source File Reference UWMZ9058