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Echinocystic Acid
SpectraBase Compound ID 8KW3EeEHjvS
InChI InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22?,23?,27?,28+,29-,30-/m0/s1
InChIKey YKOPWPOFWMYZJZ-AZKFUQQTSA-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 5HAfM66FEas
Name Echinocystic-acid
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Formula C30H48O4
InChI InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20?,21-,22?,23?,27?,28+,29-,30-/m0/s1
InChIKey YKOPWPOFWMYZJZ-AZKFUQQTSA-N
Instrument Name SF = 100 MHz
Literature Reference Chem. Pharm. Bull. 33, 3715 (1985).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5