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Bellericagenin B methyl ester triacetate
SpectraBase Compound ID Eu62O1JY7ME
InChI InChI=1S/C39H58O11/c1-22(40)47-20-39(21-48-23(2)41)29-13-14-37(9)28(35(29,7)19-27(49-24(3)42)32(39)50-25(4)43)12-11-26-30-31(44)34(5,6)15-17-38(30,33(45)46-10)18-16-36(26,37)8/h11,27-32,44H,12-21H2,1-10H3
InChIKey KXUFRQUHEQBISI-UHFFFAOYSA-N
Mol Weight 702.9 g/mol
Molecular Formula C39H58O11
Exact Mass 702.397913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EScZqV8Ouq
Name Bellericagenin B methyl ester triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H58O11
InChI InChI=1S/C39H58O11/c1-22(40)47-20-39(21-48-23(2)41)29-13-14-37(9)28(35(29,7)19-27(49-24(3)42)32(39)50-25(4)43)12-11-26-30-31(44)34(5,6)15-17-38(30,33(45)46-10)18-16-36(26,37)8/h11,27-32,44H,12-21H2,1-10H3
InChIKey KXUFRQUHEQBISI-UHFFFAOYSA-N
Molecular Weight 702.882 g/mol
SMILES OC1C2C=3C(C4(CCC5C(C4CC3)(C)CC(C(C5(COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C)(CCC2(C(=O)OC)CCC1(C)C)C
SPLASH splash10-0w4i-0090001000-b483164fb927954094bd
Source of Spectrum F-48-2491-6
Wiley ID 1415099