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HEDERAGENIN;3-BETA,23-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
SpectraBase Compound ID H9SVcd8KJo0
InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey PGOYMURMZNDHNS-MYPRUECHSA-N
Mol Weight 472.7 g/mol
Molecular Formula C30H48O4
Exact Mass 472.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FD2dkIj3nhk
Name HEDERAGENIN;3-BETA,23-DIHYDROXYOLEAN-12-EN-28-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey PGOYMURMZNDHNS-MYPRUECHSA-N
Literature Reference Author L.JAYASINGHE,H.SHIMADA,N.HARA,Y.FUJIMOTO
Literature Reference Citation PHYTOCHEM.,40,891(1995)
Literature Reference DOI 10.1016/0031-9422(95)00360-J
Molecular Weight 472.709 g/mol
Solvent CD3OD
Source File Reference UWMS2563