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Spergulagenin-A
SpectraBase Compound ID FHjrlZmVL1b
InChI InChI=1S/C30H50O4/c1-17(31)26(4)13-14-28(6)23(26)19(33)16-30(8)24(28)18(32)15-21-27(5)11-10-22(34)25(2,3)20(27)9-12-29(21,30)7/h18-24,32-34H,9-16H2,1-8H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30-/m1/s1
InChIKey AWCCLWPHALOMSP-JCIKFPHQSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vqCCx5hXl3
Name SPERGULAGENIN-A
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-17(31)26(4)13-14-28(6)23(26)19(33)16-30(8)24(28)18(32)15-21-27(5)11-10-22(34)25(2,3)20(27)9-12-29(21,30)7/h18-24,32-34H,9-16H2,1-8H3/t18-,19+,20+,21-,22+,23+,24-,26+,27+,28+,29-,30-/m1/s1
InChIKey AWCCLWPHALOMSP-JCIKFPHQSA-N
Literature Reference Author N.P.SAHU,K.KOIKE,S.BANERJEE,B.ACHARI,T.NIKAIDO
Literature Reference Citation PHYTOCHEM.,58,1177(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00346-6
Molecular Weight 474.725 g/mol
Solvent DMSO-D6
Source File Reference UWLU3126