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Protoaescigenin
SpectraBase Compound ID DCxRUAjcCTA
InChI InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19?,20?,21?,22-,23-,24-,26?,27?,28?,29+,30-/m1/s1
InChIKey VKJLHZZPVLQJKG-JGNDMJPCSA-N
Mol Weight 506.7 g/mol
Molecular Formula C30H50O6
Exact Mass 506.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKuo6w4Btj7
Name Protoaescigenin
CAS Registry Number 20853-07-0
Comments broad-band decoupling (BB)
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Formula C30H50O6
InChI InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19?,20?,21?,22-,23-,24-,26?,27?,28?,29+,30-/m1/s1
InChIKey VKJLHZZPVLQJKG-JGNDMJPCSA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 33, 1043 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5