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BOTICIN_A
SpectraBase Compound ID 4SreCxG66nn
InChI InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1
InChIKey WLRQVOMHDQWLIH-WMLFUGEISA-N
Mol Weight 426.5 g/mol
Molecular Formula C22H34O8
Exact Mass 426.225368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jjg0uWFmnCF
Name BOTICIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O8
InChI InChI=1S/C22H34O8/c1-7-8-9-16(24)10-11-17(25)28-18-12(2)19-22(6,30-14(18)4)20(27-15(5)23)13(3)21(26)29-19/h10-14,16,18-20,24H,7-9H2,1-6H3/b11-10+/t12-,13-,14+,16+,18-,19+,20+,22+/m1/s1
InChIKey WLRQVOMHDQWLIH-WMLFUGEISA-N
Literature Reference Author H.TANI,H.KOSHINO,E.SAKUNO,H.NAKAJIMA
Literature Reference Citation J.NAT.PROD.,68,1768(2005)
Literature Reference DOI 10.1021/np0503855
Molecular Weight 426.507 g/mol
Solvent CDCl3
Source File Reference UWMZ12329