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Hederagenin methyl ester
SpectraBase Compound ID F7E5At9mlna
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3
InChIKey PLMKQQMDOMTZGG-UHFFFAOYSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZA36YIPXp8
Name Hederagenin methyl ester
CAS Registry Number 17736-04-8
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Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3
InChIKey PLMKQQMDOMTZGG-UHFFFAOYSA-N
Literature Reference T. Aoki, K. Shido, Phytochem. 20, 1681 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5