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ROTUNDEIC-ACID-B;ENT-15-ALPHA-ACETOXYKAUR-16-EN-20-OIC-ACID
SpectraBase Compound ID 12FmhijChXo
InChI InChI=1S/C22H32O4/c1-13-15-6-7-17-21(12-15,18(13)26-14(2)23)11-8-16-20(3,4)9-5-10-22(16,17)19(24)25/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16-,17?,18-,21-,22?/m1/s1
InChIKey XWCPHHFBYIZOIA-HGKVFDLUSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BXgQeukegb
Name ROTUNDEIC-ACID-B;ENT-15-ALPHA-ACETOXYKAUR-16-EN-20-OIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-13-15-6-7-17-21(12-15,18(13)26-14(2)23)11-8-16-20(3,4)9-5-10-22(16,17)19(24)25/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16-,17?,18-,21-,22?/m1/s1
InChIKey XWCPHHFBYIZOIA-HGKVFDLUSA-N
Literature Reference Author F.NAGASHIMA,H.TANAKA,Y.ASAKAWA
Literature Reference Citation PHYTOCHEM.,44,653(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00604-8
Molecular Weight 360.494 g/mol
Solvent CDCl3
Source File Reference UWPA213