John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=10EAWMaHEjl SpectraBase Spectrum ID=6bmIieV7xfW

(accessed ).
7.alpha.,23-Hydroxy-tormentic-acid
SpectraBase Compound ID 10EAWMaHEjl
InChI InChI=1S/C30H48O7/c1-16-9-10-30(24(35)36)12-11-27(4)17(22(30)29(16,6)37)7-8-19-25(2)14-18(32)23(34)26(3,15-31)20(25)13-21(33)28(19,27)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18-,19?,20?,21-,22?,23+,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey MFLJCLIQMLUADF-YLJOOMKFSA-N
Mol Weight 520.7 g/mol
Molecular Formula C30H48O7
Exact Mass 520.340004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bmIieV7xfW
Name 7-ALPHA,23-HYDROXY-TORMENTIC-ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H48O7
InChI InChI=1S/C30H48O7/c1-16-9-10-30(24(35)36)12-11-27(4)17(22(30)29(16,6)37)7-8-19-25(2)14-18(32)23(34)26(3,15-31)20(25)13-21(33)28(19,27)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18-,19?,20?,21-,22?,23+,25-,26+,27-,28+,29-,30+/m1/s1
InChIKey MFLJCLIQMLUADF-YLJOOMKFSA-N
Literature Reference Author P.J.HOUGHTON,L.M.LIAN
Literature Reference Citation PHYTOCHEM.,25,1939(1986)
Literature Reference DOI 10.1016/S0031-9422(00)81179-6
Molecular Weight 520.707 g/mol
Solvent CDCl3
Source File Reference UWBK442
SpectraBase Batch ID INf8JDywI0o